(3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine

C21H33N — CID 137448076

IUPAC(3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine
SMILESC=C=C/C=C(C)\C(=C/C=C)N(CC(CCC)CCC)C(=C)C
InChIInChI=1S/C21H33N/c1-8-12-16-19(7)21(15-11-4)22(18(5)6)17-20(13-9-2)14-10-3/h11-12,15-16,20H,1,4-5,9-10,13-14,17H2,2-3,6-7H3/b19-16-,21-15+
InChIKeyGOYQPGCFGVHROV-CNTBLXPZSA-N
MW299.50 g/mol
LogP6.40
Rot. Bonds11

About (3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine

(3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine (PubChem CID 137448076) has the molecular formula C21H33N and a molecular weight of 299.50 g/mol. Its IUPAC name is (3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine.

Molecular Properties

Compound Name(3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine
PubChem CID137448076
Molecular FormulaC21H33N
Molecular Weight299.50 g/mol
Exact Mass299.26
IUPAC Name(3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine
SMILESC=C=C/C=C(C)\C(=C/C=C)N(CC(CCC)CCC)C(=C)C
InChIInChI=1S/C21H33N/c1-8-12-16-19(7)21(15-11-4)22(18(5)6)17-20(13-9-2)14-10-3/h11-12,15-16,20H,1,4-5,9-10,13-14,17H2,2-3,6-7H3/b19-16-,21-15+
InChIKeyGOYQPGCFGVHROV-CNTBLXPZSA-N
XLogP6.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine?
The IUPAC name of (3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine (CID 137448076) is (3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine.
What is the SMILES notation for (3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine?
The canonical SMILES for (3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine is C=C=C/C=C(C)\C(=C/C=C)N(CC(CCC)CCC)C(=C)C.
What is the InChIKey of (3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine?
The InChIKey is GOYQPGCFGVHROV-CNTBLXPZSA-N. The full InChI is InChI=1S/C21H33N/c1-8-12-16-19(7)21(15-11-4)22(18(5)6)17-20(13-9-2)14-10-3/h11-12,15-16,20H,1,4-5,9-10,13-14,17H2,2-3,6-7H3/b19-16-,21-15+.
What are the key properties of (3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine?
(3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine has a molecular weight of 299.50 g/mol, XLogP of 6.40, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-methyl-N-prop-1-en-2-yl-N-(2-propylpentyl)nona-1,3,5,7,8-pentaen-4-amine is sourced from PubChem (CID 137448076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).