N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine

C23H45N — CID 155245297

IUPACN,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine
SMILESC=C(CCCCCCCCCCCN(C)C(=C)C(C)CC)C(C)C
InChIInChI=1S/C23H45N/c1-8-21(4)23(6)24(7)19-17-15-13-11-9-10-12-14-16-18-22(5)20(2)3/h20-21H,5-6,8-19H2,1-4,7H3
InChIKeyVUOBTPOEHUUPGX-UHFFFAOYSA-N
MW335.62 g/mol
LogP7.59
Rot. Bonds16

About N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine

N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine (PubChem CID 155245297) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine.

Molecular Properties

Compound NameN,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine
PubChem CID155245297
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC NameN,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine
SMILESC=C(CCCCCCCCCCCN(C)C(=C)C(C)CC)C(C)C
InChIInChI=1S/C23H45N/c1-8-21(4)23(6)24(7)19-17-15-13-11-9-10-12-14-16-18-22(5)20(2)3/h20-21H,5-6,8-19H2,1-4,7H3
InChIKeyVUOBTPOEHUUPGX-UHFFFAOYSA-N
XLogP7.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 57.59
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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Frequently Asked Questions

What is the IUPAC name of N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine?
The IUPAC name of N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine (CID 155245297) is N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine.
What is the SMILES notation for N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine?
The canonical SMILES for N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine is C=C(CCCCCCCCCCCN(C)C(=C)C(C)CC)C(C)C.
What is the InChIKey of N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine?
The InChIKey is VUOBTPOEHUUPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N/c1-8-21(4)23(6)24(7)19-17-15-13-11-9-10-12-14-16-18-22(5)20(2)3/h20-21H,5-6,8-19H2,1-4,7H3.
What are the key properties of N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine?
N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine has a molecular weight of 335.62 g/mol, XLogP of 7.59, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine is sourced from PubChem (CID 155245297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).