2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine

C23H35N — CID 166963532

IUPAC2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine
SMILESC=C(C)C(=C)C(CN)CCCc1ccc(CC2CCCC2)c(C)c1
InChIInChI=1S/C23H35N/c1-17(2)19(4)23(16-24)11-7-10-21-12-13-22(18(3)14-21)15-20-8-5-6-9-20/h12-14,20,23H,1,4-11,15-16,24H2,2-3H3
InChIKeyFRAKOEDAXRWFBC-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.76
Rot. Bonds9

About 2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine

2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine (PubChem CID 166963532) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is 2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine.

Molecular Properties

Compound Name2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine
PubChem CID166963532
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Name2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine
SMILESC=C(C)C(=C)C(CN)CCCc1ccc(CC2CCCC2)c(C)c1
InChIInChI=1S/C23H35N/c1-17(2)19(4)23(16-24)11-7-10-21-12-13-22(18(3)14-21)15-20-8-5-6-9-20/h12-14,20,23H,1,4-11,15-16,24H2,2-3H3
InChIKeyFRAKOEDAXRWFBC-UHFFFAOYSA-N
XLogP5.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.76
H-Bond Donors ≤ 51
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 2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine?
The IUPAC name of 2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine (CID 166963532) is 2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine.
What is the SMILES notation for 2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine?
The canonical SMILES for 2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine is C=C(C)C(=C)C(CN)CCCc1ccc(CC2CCCC2)c(C)c1.
What is the InChIKey of 2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine?
The InChIKey is FRAKOEDAXRWFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N/c1-17(2)19(4)23(16-24)11-7-10-21-12-13-22(18(3)14-21)15-20-8-5-6-9-20/h12-14,20,23H,1,4-11,15-16,24H2,2-3H3.
What are the key properties of 2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine?
2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine has a molecular weight of 325.54 g/mol, XLogP of 5.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(cyclopentylmethyl)-3-methylphenyl]propyl]-4-methyl-3-methylidenepent-4-en-1-amine is sourced from PubChem (CID 166963532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).