N-but-3-enyl-N,7-dimethyltetradecan-7-amine

C20H41N — CID 167034642

IUPACN-but-3-enyl-N,7-dimethyltetradecan-7-amine
SMILESC=CCCN(C)C(C)(CCCCCC)CCCCCCC
InChIInChI=1S/C20H41N/c1-6-9-12-14-16-18-20(4,17-15-13-10-7-2)21(5)19-11-8-3/h8H,3,6-7,9-19H2,1-2,4-5H3
InChIKeyCFUUILDLEQUDJC-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.58
Rot. Bonds15

About N-but-3-enyl-N,7-dimethyltetradecan-7-amine

N-but-3-enyl-N,7-dimethyltetradecan-7-amine (PubChem CID 167034642) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N-but-3-enyl-N,7-dimethyltetradecan-7-amine.

Molecular Properties

Compound NameN-but-3-enyl-N,7-dimethyltetradecan-7-amine
PubChem CID167034642
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN-but-3-enyl-N,7-dimethyltetradecan-7-amine
SMILESC=CCCN(C)C(C)(CCCCCC)CCCCCCC
InChIInChI=1S/C20H41N/c1-6-9-12-14-16-18-20(4,17-15-13-10-7-2)21(5)19-11-8-3/h8H,3,6-7,9-19H2,1-2,4-5H3
InChIKeyCFUUILDLEQUDJC-UHFFFAOYSA-N
XLogP6.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
N,2-dimethyl-N-prop-2-enyltridecan-2-amine
CID 174634472
9-methyl-N,N-dioctyloctadecan-9-amine;hydrochloride
CID 175484802
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
CID 55227526
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadec-1-ene;tetradec-1-ene
CID 158470925
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
decane;pent-1-ene
CID 159058331

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N,7-dimethyltetradecan-7-amine?
The IUPAC name of N-but-3-enyl-N,7-dimethyltetradecan-7-amine (CID 167034642) is N-but-3-enyl-N,7-dimethyltetradecan-7-amine.
What is the SMILES notation for N-but-3-enyl-N,7-dimethyltetradecan-7-amine?
The canonical SMILES for N-but-3-enyl-N,7-dimethyltetradecan-7-amine is C=CCCN(C)C(C)(CCCCCC)CCCCCCC.
What is the InChIKey of N-but-3-enyl-N,7-dimethyltetradecan-7-amine?
The InChIKey is CFUUILDLEQUDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-6-9-12-14-16-18-20(4,17-15-13-10-7-2)21(5)19-11-8-3/h8H,3,6-7,9-19H2,1-2,4-5H3.
What are the key properties of N-but-3-enyl-N,7-dimethyltetradecan-7-amine?
N-but-3-enyl-N,7-dimethyltetradecan-7-amine has a molecular weight of 295.56 g/mol, XLogP of 6.58, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N,7-dimethyltetradecan-7-amine is sourced from PubChem (CID 167034642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).