2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine

C19H35N — CID 123923359

IUPAC2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine
SMILESC=C(C)C1CCC(C(C)NC2C(C)CC(C)CC2C)C1
InChIInChI=1S/C19H35N/c1-12(2)17-7-8-18(11-17)16(6)20-19-14(4)9-13(3)10-15(19)5/h13-20H,1,7-11H2,2-6H3
InChIKeyPSIXRNANZZMJLR-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.03
Rot. Bonds4

About 2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine

2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine (PubChem CID 123923359) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine
PubChem CID123923359
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine
SMILESC=C(C)C1CCC(C(C)NC2C(C)CC(C)CC2C)C1
InChIInChI=1S/C19H35N/c1-12(2)17-7-8-18(11-17)16(6)20-19-14(4)9-13(3)10-15(19)5/h13-20H,1,7-11H2,2-6H3
InChIKeyPSIXRNANZZMJLR-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
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 2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine (CID 123923359) is 2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine is C=C(C)C1CCC(C(C)NC2C(C)CC(C)CC2C)C1.
What is the InChIKey of 2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine?
The InChIKey is PSIXRNANZZMJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-12(2)17-7-8-18(11-17)16(6)20-19-14(4)9-13(3)10-15(19)5/h13-20H,1,7-11H2,2-6H3.
What are the key properties of 2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine?
2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[1-(3-prop-1-en-2-ylcyclopentyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 123923359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).