(Z)-3,6-dimethylidenepentadec-11-en-2-amine

C17H31N — CID 138480386

IUPAC(Z)-3,6-dimethylidenepentadec-11-en-2-amine
SMILESC=C(CCCC/C=C\CCC)CCC(=C)C(C)N
InChIInChI=1S/C17H31N/c1-5-6-7-8-9-10-11-12-15(2)13-14-16(3)17(4)18/h7-8,17H,2-3,5-6,9-14,18H2,1,4H3/b8-7-
InChIKeyJVSNJENWTMHLRG-FPLPWBNLSA-N
MW249.44 g/mol
LogP5.14
Rot. Bonds11

About (Z)-3,6-dimethylidenepentadec-11-en-2-amine

(Z)-3,6-dimethylidenepentadec-11-en-2-amine (PubChem CID 138480386) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (Z)-3,6-dimethylidenepentadec-11-en-2-amine.

Molecular Properties

Compound Name(Z)-3,6-dimethylidenepentadec-11-en-2-amine
PubChem CID138480386
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(Z)-3,6-dimethylidenepentadec-11-en-2-amine
SMILESC=C(CCCC/C=C\CCC)CCC(=C)C(C)N
InChIInChI=1S/C17H31N/c1-5-6-7-8-9-10-11-12-15(2)13-14-16(3)17(4)18/h7-8,17H,2-3,5-6,9-14,18H2,1,4H3/b8-7-
InChIKeyJVSNJENWTMHLRG-FPLPWBNLSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
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

(5E,7Z)-13-methylideneheptadeca-5,7-diene
CID 57162564
(Z)-dec-6-enamide
CID 147399879
(E)-2-methyldodec-8-en-3-one
CID 176585053
(Z)-9-methylideneundec-2-en-1-amine
CID 143683298
tricosa-4,19-diene
CID 142680711
hexadeca-4,12-diene
CID 71384995
(2S,3R)-2-aminooctadec-14-en-3-ol
CID 171149144
7-methylidenedec-1-ene
CID 123417470
(6E)-12-methylidene-4-prop-1-en-2-ylhenicosa-1,6-dien-2-ol
CID 143578892
pentadeca-4,10-diene
CID 54306056
(E)-tetracos-20-enoic acid
CID 171117693
17-methylidenetricosan-9-amine
CID 129036120

Frequently Asked Questions

What is the IUPAC name of (Z)-3,6-dimethylidenepentadec-11-en-2-amine?
The IUPAC name of (Z)-3,6-dimethylidenepentadec-11-en-2-amine (CID 138480386) is (Z)-3,6-dimethylidenepentadec-11-en-2-amine.
What is the SMILES notation for (Z)-3,6-dimethylidenepentadec-11-en-2-amine?
The canonical SMILES for (Z)-3,6-dimethylidenepentadec-11-en-2-amine is C=C(CCCC/C=C\CCC)CCC(=C)C(C)N.
What is the InChIKey of (Z)-3,6-dimethylidenepentadec-11-en-2-amine?
The InChIKey is JVSNJENWTMHLRG-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H31N/c1-5-6-7-8-9-10-11-12-15(2)13-14-16(3)17(4)18/h7-8,17H,2-3,5-6,9-14,18H2,1,4H3/b8-7-.
What are the key properties of (Z)-3,6-dimethylidenepentadec-11-en-2-amine?
(Z)-3,6-dimethylidenepentadec-11-en-2-amine has a molecular weight of 249.44 g/mol, XLogP of 5.14, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,6-dimethylidenepentadec-11-en-2-amine is sourced from PubChem (CID 138480386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).