3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine

C16H25N — CID 80705858

IUPAC3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
SMILESCc1cccc(CCNC2CCC(C)(C)C2)c1
InChIInChI=1S/C16H25N/c1-13-5-4-6-14(11-13)8-10-17-15-7-9-16(2,3)12-15/h4-6,11,15,17H,7-10,12H2,1-3H3
InChIKeyQSCNUNGPVMQSMB-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.71
Rot. Bonds4

About 3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine

3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine (PubChem CID 80705858) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
PubChem CID80705858
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
SMILESCc1cccc(CCNC2CCC(C)(C)C2)c1
InChIInChI=1S/C16H25N/c1-13-5-4-6-14(11-13)8-10-17-15-7-9-16(2,3)12-15/h4-6,11,15,17H,7-10,12H2,1-3H3
InChIKeyQSCNUNGPVMQSMB-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]aniline
CID 114547540
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
N-[2-(3-methylphenyl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79899591
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 104859744
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63476591
N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544212
N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091130
2-[(3,3-dimethylcyclopentyl)amino]-N-(3-methylphenyl)acetamide
CID 114546053
N-[3-(3-methylphenyl)propyl]cyclobutanamine
CID 22492849
3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 62313715

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine (CID 80705858) is 3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine is Cc1cccc(CCNC2CCC(C)(C)C2)c1.
What is the InChIKey of 3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine?
The InChIKey is QSCNUNGPVMQSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13-5-4-6-14(11-13)8-10-17-15-7-9-16(2,3)12-15/h4-6,11,15,17H,7-10,12H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine?
3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 80705858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).