3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine

C17H27N — CID 116539851

IUPAC3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(c2cccc(CC)c2)C1
InChIInChI=1S/C17H27N/c1-4-11-18-16-9-10-17(3,13-16)15-8-6-7-14(5-2)12-15/h6-8,12,16,18H,4-5,9-11,13H2,1-3H3
InChIKeyKTECEKSHKUBYSI-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.06
Rot. Bonds5

About 3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine

3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine (PubChem CID 116539851) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
PubChem CID116539851
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(c2cccc(CC)c2)C1
InChIInChI=1S/C17H27N/c1-4-11-18-16-9-10-17(3,13-16)15-8-6-7-14(5-2)12-15/h6-8,12,16,18H,4-5,9-11,13H2,1-3H3
InChIKeyKTECEKSHKUBYSI-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine
CID 116545842
3-(3-ethylphenyl)-3-methylcyclopentan-1-amine
CID 116538959
3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine
CID 114606402
4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol
CID 116546270
3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539698
4,4-diphenyl-N-propylcyclohexan-1-amine
CID 154370118
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539814
1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene
CID 22420628
5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine
CID 116539727
3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539638
3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine
CID 102708933

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine (CID 116539851) is 3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(c2cccc(CC)c2)C1.
What is the InChIKey of 3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine?
The InChIKey is KTECEKSHKUBYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-11-18-16-9-10-17(3,13-16)15-8-6-7-14(5-2)12-15/h6-8,12,16,18H,4-5,9-11,13H2,1-3H3.
What are the key properties of 3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine?
3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 116539851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).