N-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine

C23H35N — CID 134388305

IUPACN-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine
SMILESC=C1CC(=C)C(N(CCC(C)(C(=C)C)C2CCC(=C)C2)C(=C)C)C1
InChIInChI=1S/C23H35N/c1-16(2)23(8,21-10-9-18(5)14-21)11-12-24(17(3)4)22-15-19(6)13-20(22)7/h21-22H,1,3,5-7,9-15H2,2,4,8H3
InChIKeyIXBSJPDVVKYJQG-UHFFFAOYSA-N
MW325.54 g/mol
LogP6.43
Rot. Bonds7

About N-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine

N-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine (PubChem CID 134388305) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is N-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine
PubChem CID134388305
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC NameN-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine
SMILESC=C1CC(=C)C(N(CCC(C)(C(=C)C)C2CCC(=C)C2)C(=C)C)C1
InChIInChI=1S/C23H35N/c1-16(2)23(8,21-10-9-18(5)14-21)11-12-24(17(3)4)22-15-19(6)13-20(22)7/h21-22H,1,3,5-7,9-15H2,2,4,8H3
InChIKeyIXBSJPDVVKYJQG-UHFFFAOYSA-N
XLogP6.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine?
The IUPAC name of N-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine (CID 134388305) is N-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine?
The canonical SMILES for N-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine is C=C1CC(=C)C(N(CCC(C)(C(=C)C)C2CCC(=C)C2)C(=C)C)C1.
What is the InChIKey of N-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine?
The InChIKey is IXBSJPDVVKYJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N/c1-16(2)23(8,21-10-9-18(5)14-21)11-12-24(17(3)4)22-15-19(6)13-20(22)7/h21-22H,1,3,5-7,9-15H2,2,4,8H3.
What are the key properties of N-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine?
N-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine has a molecular weight of 325.54 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dimethyl-3-(3-methylidenecyclopentyl)pent-4-enyl]-2,4-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine is sourced from PubChem (CID 134388305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).