N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine

C12H27N3 — CID 105413759

IUPACN'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C12H27N3/c1-11(8-13)9-15(4)10-12(14(2)3)6-5-7-12/h11H,5-10,13H2,1-4H3
InChIKeyYNTACNLZIRWIKG-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds6

About N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine

N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine (PubChem CID 105413759) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
PubChem CID105413759
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C12H27N3/c1-11(8-13)9-15(4)10-12(14(2)3)6-5-7-12/h11H,5-10,13H2,1-4H3
InChIKeyYNTACNLZIRWIKG-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-2-(2-methylpropyl)butane-1,4-diamine
CID 105421315
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 105421320
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol
CID 105418772
1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416277
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide
CID 105415061
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105416425
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
CID 105414329
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]butane-1-thiol
CID 105418791
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 105414502

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine (CID 105413759) is N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine is CC(CN)CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine?
The InChIKey is YNTACNLZIRWIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(8-13)9-15(4)10-12(14(2)3)6-5-7-12/h11H,5-10,13H2,1-4H3.
What are the key properties of N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine?
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 105413759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).