(3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine

C23H31N — CID 144776581

IUPAC(3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine
SMILESC=C(C)NC(=C)/C=C\C(C)=C/C/C=C/c1cccc(C(C)(C)C)c1
InChIInChI=1S/C23H31N/c1-18(2)24-20(4)16-15-19(3)11-8-9-12-21-13-10-14-22(17-21)23(5,6)7/h9-17,24H,1,4,8H2,2-3,5-7H3/b12-9+,16-15-,19-11-
InChIKeyIDIQUDGPFIWVCA-NXKMTFAFSA-N
MW321.51 g/mol
LogP6.53
Rot. Bonds7

About (3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine

(3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine (PubChem CID 144776581) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is (3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine.

Molecular Properties

Compound Name(3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine
PubChem CID144776581
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name(3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine
SMILESC=C(C)NC(=C)/C=C\C(C)=C/C/C=C/c1cccc(C(C)(C)C)c1
InChIInChI=1S/C23H31N/c1-18(2)24-20(4)16-15-19(3)11-8-9-12-21-13-10-14-22(17-21)23(5,6)7/h9-17,24H,1,4,8H2,2-3,5-7H3/b12-9+,16-15-,19-11-
InChIKeyIDIQUDGPFIWVCA-NXKMTFAFSA-N
XLogP6.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine?
The IUPAC name of (3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine (CID 144776581) is (3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine.
What is the SMILES notation for (3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine?
The canonical SMILES for (3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine is C=C(C)NC(=C)/C=C\C(C)=C/C/C=C/c1cccc(C(C)(C)C)c1.
What is the InChIKey of (3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine?
The InChIKey is IDIQUDGPFIWVCA-NXKMTFAFSA-N. The full InChI is InChI=1S/C23H31N/c1-18(2)24-20(4)16-15-19(3)11-8-9-12-21-13-10-14-22(17-21)23(5,6)7/h9-17,24H,1,4,8H2,2-3,5-7H3/b12-9+,16-15-,19-11-.
What are the key properties of (3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine?
(3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine has a molecular weight of 321.51 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,8E)-9-(3-tert-butylphenyl)-5-methyl-N-prop-1-en-2-ylnona-1,3,5,8-tetraen-2-amine is sourced from PubChem (CID 144776581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).