4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine

C21H36N2 — CID 90782407

IUPAC4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine
SMILESC=C1C(=C)C(N(C)C(=C)C)CC1CC(C)N(C)C(C=CC)CC
InChIInChI=1S/C21H36N2/c1-10-12-20(11-2)23(9)16(5)13-19-14-21(18(7)17(19)6)22(8)15(3)4/h10,12,16,19-21H,3,6-7,11,13-14H2,1-2,4-5,8-9H3
InChIKeyKOLWVOACUYYGDV-UHFFFAOYSA-N
MW316.53 g/mol
LogP5.02
Rot. Bonds8

About 4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine

4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine (PubChem CID 90782407) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Name4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine
PubChem CID90782407
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC Name4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine
SMILESC=C1C(=C)C(N(C)C(=C)C)CC1CC(C)N(C)C(C=CC)CC
InChIInChI=1S/C21H36N2/c1-10-12-20(11-2)23(9)16(5)13-19-14-21(18(7)17(19)6)22(8)15(3)4/h10,12,16,19-21H,3,6-7,11,13-14H2,1-2,4-5,8-9H3
InChIKeyKOLWVOACUYYGDV-UHFFFAOYSA-N
XLogP5.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine?
The IUPAC name of 4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine (CID 90782407) is 4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine.
What is the SMILES notation for 4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine?
The canonical SMILES for 4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine is C=C1C(=C)C(N(C)C(=C)C)CC1CC(C)N(C)C(C=CC)CC.
What is the InChIKey of 4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine?
The InChIKey is KOLWVOACUYYGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2/c1-10-12-20(11-2)23(9)16(5)13-19-14-21(18(7)17(19)6)22(8)15(3)4/h10,12,16,19-21H,3,6-7,11,13-14H2,1-2,4-5,8-9H3.
What are the key properties of 4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine?
4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine has a molecular weight of 316.53 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[hex-4-en-3-yl(methyl)amino]propyl]-N-methyl-2,3-dimethylidene-N-prop-1-en-2-ylcyclopentan-1-amine is sourced from PubChem (CID 90782407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).