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

C17H27N — CID 80706411

IUPAC3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine
SMILESCc1ccccc1CC(C)NC1CCC(C)(C)C1
InChIInChI=1S/C17H27N/c1-13-7-5-6-8-15(13)11-14(2)18-16-9-10-17(3,4)12-16/h5-8,14,16,18H,9-12H2,1-4H3
InChIKeyUAYOYOUJAIRHMA-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.09
Rot. Bonds4

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

3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine (PubChem CID 80706411) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine
PubChem CID80706411
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine
SMILESCc1ccccc1CC(C)NC1CCC(C)(C)C1
InChIInChI=1S/C17H27N/c1-13-7-5-6-8-15(13)11-14(2)18-16-9-10-17(3,4)12-16/h5-8,14,16,18H,9-12H2,1-4H3
InChIKeyUAYOYOUJAIRHMA-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80693498
N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60943738
1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80560977
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80705084
N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine
CID 103981634
1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 55141211
3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
CID 104584425
2,6-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclohexan-1-amine
CID 55191586
1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
CID 115929724
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 115897346
1-cyclopropyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 115713788
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373520

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine (CID 80706411) is 3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine is Cc1ccccc1CC(C)NC1CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine?
The InChIKey is UAYOYOUJAIRHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-7-5-6-8-15(13)11-14(2)18-16-9-10-17(3,4)12-16/h5-8,14,16,18H,9-12H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine?
3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.09, 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-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 80706411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).