but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine

C20H39N — CID 153393913

IUPACbut-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine
SMILESC=C(NC(CC)C1(C)CC(C)C1)C(C)C(C)C.C=CCC
InChIInChI=1S/C16H31N.C4H8/c1-8-15(16(7)9-12(4)10-16)17-14(6)13(5)11(2)3;1-3-4-2/h11-13,15,17H,6,8-10H2,1-5,7H3;3H,1,4H2,2H3
InChIKeyXQDNNGRIZTXQMS-UHFFFAOYSA-N
MW293.54 g/mol
LogP6.18
Rot. Bonds7

About but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine

but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine (PubChem CID 153393913) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine.

Molecular Properties

Compound Namebut-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine
PubChem CID153393913
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Namebut-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine
SMILESC=C(NC(CC)C1(C)CC(C)C1)C(C)C(C)C.C=CCC
InChIInChI=1S/C16H31N.C4H8/c1-8-15(16(7)9-12(4)10-16)17-14(6)13(5)11(2)3;1-3-4-2/h11-13,15,17H,6,8-10H2,1-5,7H3;3H,1,4H2,2H3
InChIKeyXQDNNGRIZTXQMS-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine
CID 126559121
2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine
CID 67555722
3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine
CID 89192234
N-(3-ethenyl-5-methylhexyl)-3,4-dimethylheptan-2-amine
CID 91311106
4,4-diethyl-5-methyl-2-N-(3-methylbut-1-en-2-yl)-3-methylideneheptane-2,5-diamine
CID 121478737
(Z)-3-[(2S)-2,3-dimethylbutyl]-6-methyl-N-[(3R)-2,2,4-trimethylpentan-3-yl]dec-7-en-2-amine
CID 122500269
4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine
CID 123187986
3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine
CID 123444703
6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine
CID 123444900
N-ethyl-1-[2-[7-ethyl-6,6,8-trimethyl-2-(2-methylcyclopropyl)non-1-en-4-yl]-3,4-dimethylcyclobutyl]ethanamine
CID 123468156
Methyl-[7-[(2-methylcyclobutyl)amino]hept-1-enyl]-(6-methylheptan-3-yl)-propan-2-ylazanium
CID 123703483
N-[2-(3-ethenyl-3-methylhexyl)-6-ethyl-2,3,7,7-tetramethyloctyl]-2-methyl-2-propan-2-ylcyclopropan-1-amine
CID 123784663

Frequently Asked Questions

What is the IUPAC name of but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine?
The IUPAC name of but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine (CID 153393913) is but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine.
What is the SMILES notation for but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine?
The canonical SMILES for but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine is C=C(NC(CC)C1(C)CC(C)C1)C(C)C(C)C.C=CCC.
What is the InChIKey of but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine?
The InChIKey is XQDNNGRIZTXQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N.C4H8/c1-8-15(16(7)9-12(4)10-16)17-14(6)13(5)11(2)3;1-3-4-2/h11-13,15,17H,6,8-10H2,1-5,7H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine?
but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine has a molecular weight of 293.54 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine is sourced from PubChem (CID 153393913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).