N,N-dimethylhenicos-1-en-3-amine

C23H47N — CID 174322133

IUPACN,N-dimethylhenicos-1-en-3-amine
SMILESC=CC(CCCCCCCCCCCCCCCCCC)N(C)C
InChIInChI=1S/C23H47N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2)24(3)4/h6,23H,2,5,7-22H2,1,3-4H3
InChIKeyQGGCWJDLHPAVLA-UHFFFAOYSA-N
MW337.64 g/mol
LogP7.75
Rot. Bonds19

About N,N-dimethylhenicos-1-en-3-amine

N,N-dimethylhenicos-1-en-3-amine (PubChem CID 174322133) has the molecular formula C23H47N and a molecular weight of 337.64 g/mol. Its IUPAC name is N,N-dimethylhenicos-1-en-3-amine.

Molecular Properties

Compound NameN,N-dimethylhenicos-1-en-3-amine
PubChem CID174322133
Molecular FormulaC23H47N
Molecular Weight337.64 g/mol
Exact Mass337.37
IUPAC NameN,N-dimethylhenicos-1-en-3-amine
SMILESC=CC(CCCCCCCCCCCCCCCCCC)N(C)C
InChIInChI=1S/C23H47N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2)24(3)4/h6,23H,2,5,7-22H2,1,3-4H3
InChIKeyQGGCWJDLHPAVLA-UHFFFAOYSA-N
XLogP7.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 57.75
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

N,N-dimethylnonadec-1-en-3-amine
CID 174330581
N,N-dimethyloct-1-en-3-amine
CID 123653053
N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine
CID 87378366
6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine
CID 139697213
N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine
CID 146420485
3-ethenylnon-1-ene
CID 123641938
10-ethenylnonadecane
CID 57244946
ethane;9-ethenylheptadecane;octane
CID 168985515
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
heptadec-1-en-3-ol
CID 11858939
5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride
CID 174791441

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylhenicos-1-en-3-amine?
The IUPAC name of N,N-dimethylhenicos-1-en-3-amine (CID 174322133) is N,N-dimethylhenicos-1-en-3-amine.
What is the SMILES notation for N,N-dimethylhenicos-1-en-3-amine?
The canonical SMILES for N,N-dimethylhenicos-1-en-3-amine is C=CC(CCCCCCCCCCCCCCCCCC)N(C)C.
What is the InChIKey of N,N-dimethylhenicos-1-en-3-amine?
The InChIKey is QGGCWJDLHPAVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2)24(3)4/h6,23H,2,5,7-22H2,1,3-4H3.
What are the key properties of N,N-dimethylhenicos-1-en-3-amine?
N,N-dimethylhenicos-1-en-3-amine has a molecular weight of 337.64 g/mol, XLogP of 7.75, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylhenicos-1-en-3-amine is sourced from PubChem (CID 174322133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).