13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine

C24H48N2 — CID 123894035

IUPAC13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine
SMILES[H]/N=C(/C(CCCCCCCCCCN)=C(CC)CCC)C(CC)CCC
InChIInChI=1S/C24H48N2/c1-5-17-21(7-3)23(24(26)22(8-4)18-6-2)19-15-13-11-9-10-12-14-16-20-25/h22,26H,5-20,25H2,1-4H3/b23-21?,26-24+
InChIKeyVUXBZVDXMBZJIT-RAYJIRAGSA-N
MW364.66 g/mol
LogP7.81
Rot. Bonds18

About 13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine

13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine (PubChem CID 123894035) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine.

Molecular Properties

Compound Name13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine
PubChem CID123894035
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC Name13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine
SMILES[H]/N=C(/C(CCCCCCCCCCN)=C(CC)CCC)C(CC)CCC
InChIInChI=1S/C24H48N2/c1-5-17-21(7-3)23(24(26)22(8-4)18-6-2)19-15-13-11-9-10-12-14-16-20-25/h22,26H,5-20,25H2,1-4H3/b23-21?,26-24+
InChIKeyVUXBZVDXMBZJIT-RAYJIRAGSA-N
XLogP7.81
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Imino-8-methyl-5-(2-methylpropylidene)nonan-1-amine
CID 53951183
3-Cycloundecylidene-2-iminocycloundecan-1-amine
CID 91271732
3-(Cycloundecen-1-yl)-2-iminocycloundecan-1-amine
CID 91393172
8-Imino-7,9-dimethyldec-9-en-2-amine
CID 91580309
7-Ethanimidoyl-6-(2-methylprop-2-enimidoyl)undec-9-en-1-amine
CID 123172137
8-Cyclopentyl-7-cyclopentylidene-8-iminooctan-1-amine
CID 123312933
6-Cyclopentyl-5-cyclopentylidene-6-iminohexan-1-amine
CID 123486286
8-Cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine
CID 123565693
5-Imino-5-(3,3,5-trimethylcyclohexyl)-4-(3,3,5-trimethylcyclohexylidene)pentan-1-amine
CID 123664372
6-Imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine
CID 123826399
8-Imino-9,11-dimethyl-7-(4-methylpentan-2-ylidene)dodecan-1-amine
CID 123996683
6-Cyclohexyl-5-cyclohexylidene-6-iminohexan-1-amine
CID 124005809

Frequently Asked Questions

What is the IUPAC name of 13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine?
The IUPAC name of 13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine (CID 123894035) is 13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine.
What is the SMILES notation for 13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine?
The canonical SMILES for 13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine is [H]/N=C(/C(CCCCCCCCCCN)=C(CC)CCC)C(CC)CCC.
What is the InChIKey of 13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine?
The InChIKey is VUXBZVDXMBZJIT-RAYJIRAGSA-N. The full InChI is InChI=1S/C24H48N2/c1-5-17-21(7-3)23(24(26)22(8-4)18-6-2)19-15-13-11-9-10-12-14-16-20-25/h22,26H,5-20,25H2,1-4H3/b23-21?,26-24+.
What are the key properties of 13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine?
13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine has a molecular weight of 364.66 g/mol, XLogP of 7.81, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-11-hexan-3-ylidene-12-iminohexadecan-1-amine is sourced from PubChem (CID 123894035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).