3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine

C19H31N — CID 116545842

IUPAC3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(c2cccc(CC(C)C)c2)C1
InChIInChI=1S/C19H31N/c1-5-11-20-18-9-10-19(4,14-18)17-8-6-7-16(13-17)12-15(2)3/h6-8,13,15,18,20H,5,9-12,14H2,1-4H3
InChIKeyBZTWEWCNRSTNSO-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.69
Rot. Bonds6

About 3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine

3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine (PubChem CID 116545842) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine
PubChem CID116545842
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(c2cccc(CC(C)C)c2)C1
InChIInChI=1S/C19H31N/c1-5-11-20-18-9-10-19(4,14-18)17-8-6-7-16(13-17)12-15(2)3/h6-8,13,15,18,20H,5,9-12,14H2,1-4H3
InChIKeyBZTWEWCNRSTNSO-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539851
2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine
CID 116545566
3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine
CID 114606402
4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol
CID 116546270
4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543004
3-(3-ethylphenyl)-3-methylcyclopentan-1-amine
CID 116538959
3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539698
4,4-diphenyl-N-propylcyclohexan-1-amine
CID 154370118
2-methyl-1-[3-(2-methylpropyl)phenyl]cyclopentan-1-ol
CID 116542606
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine
CID 102708933
3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539814

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine (CID 116545842) is 3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(c2cccc(CC(C)C)c2)C1.
What is the InChIKey of 3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine?
The InChIKey is BZTWEWCNRSTNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-11-20-18-9-10-19(4,14-18)17-8-6-7-16(13-17)12-15(2)3/h6-8,13,15,18,20H,5,9-12,14H2,1-4H3.
What are the key properties of 3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine?
3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 116545842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).