(3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine

C23H43N — CID 142282059

IUPAC(3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine
SMILESC=C(/C(C)=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC
InChIInChI=1S/C23H43N/c1-11-17(2)12-13-18(3)19(4)14-15-20(5)23(8)21(6)16-22(7)24(9)10/h16-20H,7-8,11-15H2,1-6,9-10H3/b21-16-
InChIKeyLGSSPTHEXXASTQ-PGMHBOJBSA-N
MW333.60 g/mol
LogP7.08
Rot. Bonds12

About (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine

(3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine (PubChem CID 142282059) has the molecular formula C23H43N and a molecular weight of 333.60 g/mol. Its IUPAC name is (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine
PubChem CID142282059
Molecular FormulaC23H43N
Molecular Weight333.60 g/mol
Exact Mass333.34
IUPAC Name(3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine
SMILESC=C(/C(C)=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC
InChIInChI=1S/C23H43N/c1-11-17(2)12-13-18(3)19(4)14-15-20(5)23(8)21(6)16-22(7)24(9)10/h16-20H,7-8,11-15H2,1-6,9-10H3/b21-16-
InChIKeyLGSSPTHEXXASTQ-PGMHBOJBSA-N
XLogP7.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine with MolForge

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Related Compounds

(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
2-(2-ethylcyclooctyl)-N-fluoro-N,3,5-trimethylcyclohepta-1,3,6-trien-1-amine
CID 155475914
(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine
CID 166907484
(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine
CID 142281793
(E)-3-(2,4-dimethylcyclohex-3-en-1-yl)-N-prop-1-en-2-yl-N-prop-2-enylprop-2-en-1-amine
CID 68302134
(Z)-3-(2,4-dimethylcyclohex-3-en-1-yl)-N-prop-1-en-2-yl-N-prop-2-enylprop-2-en-1-amine
CID 68302340
(E)-3-(2,4-dimethylcyclohex-3-en-1-yl)-N-ethyl-N-prop-1-en-2-ylprop-2-en-1-amine
CID 68302520
3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3-dien-1-amine
CID 88699768
3,7,11,15-tetramethyl-N,N-bis(prop-2-enyl)hexadeca-1,3,14-trien-1-amine
CID 88700175
N-[(1Z,3Z)-2-but-3-en-2-ylhexa-1,3,5-trienyl]-4-hept-6-en-3-yl-N,5-dimethylcyclohexa-1,5-dien-1-amine
CID 89965355
1-[(2E,4E,10E)-11-ethyl-13-methyl-5-propan-2-ylpentadeca-2,4,10-trien-3-yl]pyrrolidine
CID 89973109
N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine
CID 118457565

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine?
The IUPAC name of (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine (CID 142282059) is (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine is C=C(/C(C)=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.
What is the InChIKey of (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine?
The InChIKey is LGSSPTHEXXASTQ-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H43N/c1-11-17(2)12-13-18(3)19(4)14-15-20(5)23(8)21(6)16-22(7)24(9)10/h16-20H,7-8,11-15H2,1-6,9-10H3/b21-16-.
What are the key properties of (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine?
(3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine has a molecular weight of 333.60 g/mol, XLogP of 7.08, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine is sourced from PubChem (CID 142282059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).