(3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine

C22H35N — CID 139468997

IUPAC(3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine
SMILESC=C(C)NC(C)/C=C(/C=C(\C)C/C(C)=C\CC)C(=C/C)\C(=C)C
InChIInChI=1S/C22H35N/c1-10-12-18(7)13-19(8)14-21(22(11-2)16(3)4)15-20(9)23-17(5)6/h11-12,14-15,20,23H,3,5,10,13H2,1-2,4,6-9H3/b18-12-,19-14+,21-15-,22-11-
InChIKeyWZARKACPZHKKCD-QCOJAPHWSA-N
MW313.53 g/mol
LogP6.64
Rot. Bonds9

About (3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine

(3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine (PubChem CID 139468997) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is (3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine.

Molecular Properties

Compound Name(3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine
PubChem CID139468997
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name(3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine
SMILESC=C(C)NC(C)/C=C(/C=C(\C)C/C(C)=C\CC)C(=C/C)\C(=C)C
InChIInChI=1S/C22H35N/c1-10-12-18(7)13-19(8)14-21(22(11-2)16(3)4)15-20(9)23-17(5)6/h11-12,14-15,20,23H,3,5,10,13H2,1-2,4,6-9H3/b18-12-,19-14+,21-15-,22-11-
InChIKeyWZARKACPZHKKCD-QCOJAPHWSA-N
XLogP6.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine?
The IUPAC name of (3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine (CID 139468997) is (3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine.
What is the SMILES notation for (3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine?
The canonical SMILES for (3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine is C=C(C)NC(C)/C=C(/C=C(\C)C/C(C)=C\CC)C(=C/C)\C(=C)C.
What is the InChIKey of (3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine?
The InChIKey is WZARKACPZHKKCD-QCOJAPHWSA-N. The full InChI is InChI=1S/C22H35N/c1-10-12-18(7)13-19(8)14-21(22(11-2)16(3)4)15-20(9)23-17(5)6/h11-12,14-15,20,23H,3,5,10,13H2,1-2,4,6-9H3/b18-12-,19-14+,21-15-,22-11-.
What are the key properties of (3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine?
(3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine has a molecular weight of 313.53 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine is sourced from PubChem (CID 139468997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).