N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine

C44H91N9O2 — CID 158468123

IUPACN-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine
SMILESC=C(C)N1CCC1.C=C(N(C)CC(C)CC)N1CCC1.C=C(N(C)CC(C)CN(C)C)N1CCC1.C=C(N(C)CC(C)CO)N1CCC1.CNCC(C)CO
InChIInChI=1S/C12H25N3.C11H22N2.C10H20N2O.C6H11N.C5H13NO/c1-11(9-13(3)4)10-14(5)12(2)15-7-6-8-15;1-5-10(2)9-12(4)11(3)13-7-6-8-13;1-9(8-13)7-11(3)10(2)12-5-4-6-12;1-6(2)7-4-3-5-7;1-5(4-7)3-6-2/h11H,2,6-10H2,1,3-5H3;10H,3,5-9H2,1-2,4H3;9,13H,2,4-8H2,1,3H3;1,3-5H2,2H3;5-7H,3-4H2,1-2H3
InChIKeyHFZZQIFKASNMQA-UHFFFAOYSA-N
MW778.27 g/mol
LogP5.22
Rot. Bonds20

About N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine

N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine (PubChem CID 158468123) has the molecular formula C44H91N9O2 and a molecular weight of 778.27 g/mol. Its IUPAC name is N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine.

Molecular Properties

Compound NameN-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine
PubChem CID158468123
Molecular FormulaC44H91N9O2
Molecular Weight778.27 g/mol
Exact Mass777.73
IUPAC NameN-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine
SMILESC=C(C)N1CCC1.C=C(N(C)CC(C)CC)N1CCC1.C=C(N(C)CC(C)CN(C)C)N1CCC1.C=C(N(C)CC(C)CO)N1CCC1.CNCC(C)CO
InChIInChI=1S/C12H25N3.C11H22N2.C10H20N2O.C6H11N.C5H13NO/c1-11(9-13(3)4)10-14(5)12(2)15-7-6-8-15;1-5-10(2)9-12(4)11(3)13-7-6-8-13;1-9(8-13)7-11(3)10(2)12-5-4-6-12;1-6(2)7-4-3-5-7;1-5(4-7)3-6-2/h11H,2,6-10H2,1,3-5H3;10H,3,5-9H2,1-2,4H3;9,13H,2,4-8H2,1,3H3;1,3-5H2,2H3;5-7H,3-4H2,1-2H3
InChIKeyHFZZQIFKASNMQA-UHFFFAOYSA-N
XLogP5.22
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500778.27
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine with MolForge

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Related Compounds

N,2-dimethylbutan-1-amine;2-methylbutan-1-amine;N,N,2-trimethylbutan-1-amine
CID 158144247
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
(2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride
CID 165448947
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
carbanide;rutherfordium;N,N,2-trimethylbutan-1-amine
CID 166075746
1-prop-1-en-2-ylpiperidine
CID 12570653
N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
N-(3-hydroxy-2-methylpropyl)-N-methylacetamide
CID 126993696
N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine
CID 90787138
N,2,6-trimethylhept-6-en-1-amine
CID 114477309
2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
CID 82938717

Frequently Asked Questions

What is the IUPAC name of N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine?
The IUPAC name of N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine (CID 158468123) is N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine.
What is the SMILES notation for N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine?
The canonical SMILES for N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine is C=C(C)N1CCC1.C=C(N(C)CC(C)CC)N1CCC1.C=C(N(C)CC(C)CN(C)C)N1CCC1.C=C(N(C)CC(C)CO)N1CCC1.CNCC(C)CO.
What is the InChIKey of N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine?
The InChIKey is HFZZQIFKASNMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.C11H22N2.C10H20N2O.C6H11N.C5H13NO/c1-11(9-13(3)4)10-14(5)12(2)15-7-6-8-15;1-5-10(2)9-12(4)11(3)13-7-6-8-13;1-9(8-13)7-11(3)10(2)12-5-4-6-12;1-6(2)7-4-3-5-7;1-5(4-7)3-6-2/h11H,2,6-10H2,1,3-5H3;10H,3,5-9H2,1-2,4H3;9,13H,2,4-8H2,1,3H3;1,3-5H2,2H3;5-7H,3-4H2,1-2H3.
What are the key properties of N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine?
N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine has a molecular weight of 778.27 g/mol, XLogP of 5.22, 20 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azetidin-1-yl)ethenyl]-N,2-dimethylbutan-1-amine;3-[1-(azetidin-1-yl)ethenyl-methylamino]-2-methylpropan-1-ol;N-[1-(azetidin-1-yl)ethenyl]-N,N',N',2-tetramethylpropane-1,3-diamine;2-methyl-3-(methylamino)propan-1-ol;1-prop-1-en-2-ylazetidine is sourced from PubChem (CID 158468123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).