3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine

C19H31N — CID 116539638

IUPAC3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
SMILESCCCNC1CCC(C)(Cc2c(C)cc(C)cc2C)C1
InChIInChI=1S/C19H31N/c1-6-9-20-17-7-8-19(5,12-17)13-18-15(3)10-14(2)11-16(18)4/h10-11,17,20H,6-9,12-13H2,1-5H3
InChIKeyPZQCDBAZXPVWHL-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.71
Rot. Bonds5

About 3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine

3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine (PubChem CID 116539638) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
PubChem CID116539638
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
SMILESCCCNC1CCC(C)(Cc2c(C)cc(C)cc2C)C1
InChIInChI=1S/C19H31N/c1-6-9-20-17-7-8-19(5,12-17)13-18-15(3)10-14(2)11-16(18)4/h10-11,17,20H,6-9,12-13H2,1-5H3
InChIKeyPZQCDBAZXPVWHL-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539047
3-[(2,4-difluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539573
3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 114544213
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539811
3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539610
N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine
CID 105375560
1-(2-methoxy-4,6-dimethylphenyl)-4-(propylamino)cyclohexan-1-ol
CID 106681534
3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
CID 116539626
3-methyl-3-(3-methylbut-3-enyl)-N-propylcyclopentan-1-amine
CID 114477339
3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539814
3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539851

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine (CID 116539638) is 3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine is CCCNC1CCC(C)(Cc2c(C)cc(C)cc2C)C1.
What is the InChIKey of 3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is PZQCDBAZXPVWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-9-20-17-7-8-19(5,12-17)13-18-15(3)10-14(2)11-16(18)4/h10-11,17,20H,6-9,12-13H2,1-5H3.
What are the key properties of 3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine?
3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 116539638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).