N,N-dimethylpentadec-2-en-1-amine oxide

C17H35NO — CID 175129932

IUPACN,N-dimethylpentadec-2-en-1-amine oxide
SMILESCCCCCCCCCCCCC=CC[N+](C)(C)[O-]
InChIInChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h15-16H,4-14,17H2,1-3H3
InChIKeyACCKLTCVFGHAGO-UHFFFAOYSA-N
MW269.47 g/mol
LogP5.43
Rot. Bonds13

About N,N-dimethylpentadec-2-en-1-amine oxide

N,N-dimethylpentadec-2-en-1-amine oxide (PubChem CID 175129932) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N,N-dimethylpentadec-2-en-1-amine oxide.

Molecular Properties

Compound NameN,N-dimethylpentadec-2-en-1-amine oxide
PubChem CID175129932
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN,N-dimethylpentadec-2-en-1-amine oxide
SMILESCCCCCCCCCCCCC=CC[N+](C)(C)[O-]
InChIInChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h15-16H,4-14,17H2,1-3H3
InChIKeyACCKLTCVFGHAGO-UHFFFAOYSA-N
XLogP5.43
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.43
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N,N-dimethylpentadec-2-en-1-amine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-dodec-2-enyl]-trimethylazanium chloride
CID 19848238
trimethyl-[(E)-octadec-2-enyl]azanium bromide
CID 19848237
dimethyl-bis[(E)-oct-2-enyl]azanium
CID 102116304
heptadeca-5,9-diene
CID 123203573
(5E,9E)-nonacosa-5,9-diene
CID 56936191
(Z)-tricos-11-ene
CID 5356790
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
(24Z)-hexatriaconta-9,24-diene
CID 173127472
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpentadec-2-en-1-amine oxide?
The IUPAC name of N,N-dimethylpentadec-2-en-1-amine oxide (CID 175129932) is N,N-dimethylpentadec-2-en-1-amine oxide.
What is the SMILES notation for N,N-dimethylpentadec-2-en-1-amine oxide?
The canonical SMILES for N,N-dimethylpentadec-2-en-1-amine oxide is CCCCCCCCCCCCC=CC[N+](C)(C)[O-].
What is the InChIKey of N,N-dimethylpentadec-2-en-1-amine oxide?
The InChIKey is ACCKLTCVFGHAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h15-16H,4-14,17H2,1-3H3.
What are the key properties of N,N-dimethylpentadec-2-en-1-amine oxide?
N,N-dimethylpentadec-2-en-1-amine oxide has a molecular weight of 269.47 g/mol, XLogP of 5.43, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpentadec-2-en-1-amine oxide is sourced from PubChem (CID 175129932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).