(3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine

C23H35N — CID 139469089

IUPAC(3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine
SMILESC=CC/C(C)=C/C(=CC(=C)N(C)CC1C(C)C1C)/C(=C\C)C(=C)C
InChIInChI=1S/C23H35N/c1-10-12-17(5)13-21(22(11-2)16(3)4)14-18(6)24(9)15-23-19(7)20(23)8/h10-11,13-14,19-20,23H,1,3,6,12,15H2,2,4-5,7-9H3/b17-13+,21-14-,22-11-
InChIKeyXHHXXRVXTGQLTI-IHISCJNESA-N
MW325.54 g/mol
LogP6.31
Rot. Bonds9

About (3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine

(3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine (PubChem CID 139469089) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is (3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine.

Molecular Properties

Compound Name(3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine
PubChem CID139469089
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Name(3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine
SMILESC=CC/C(C)=C/C(=CC(=C)N(C)CC1C(C)C1C)/C(=C\C)C(=C)C
InChIInChI=1S/C23H35N/c1-10-12-17(5)13-21(22(11-2)16(3)4)14-18(6)24(9)15-23-19(7)20(23)8/h10-11,13-14,19-20,23H,1,3,6,12,15H2,2,4-5,7-9H3/b17-13+,21-14-,22-11-
InChIKeyXHHXXRVXTGQLTI-IHISCJNESA-N
XLogP6.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine?
The IUPAC name of (3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine (CID 139469089) is (3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine.
What is the SMILES notation for (3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine?
The canonical SMILES for (3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine is C=CC/C(C)=C/C(=CC(=C)N(C)CC1C(C)C1C)/C(=C\C)C(=C)C.
What is the InChIKey of (3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine?
The InChIKey is XHHXXRVXTGQLTI-IHISCJNESA-N. The full InChI is InChI=1S/C23H35N/c1-10-12-17(5)13-21(22(11-2)16(3)4)14-18(6)24(9)15-23-19(7)20(23)8/h10-11,13-14,19-20,23H,1,3,6,12,15H2,2,4-5,7-9H3/b17-13+,21-14-,22-11-.
What are the key properties of (3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine?
(3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine has a molecular weight of 325.54 g/mol, XLogP of 6.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-[(2,3-dimethylcyclopropyl)methyl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine is sourced from PubChem (CID 139469089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).