N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine

C16H23N — CID 43632705

IUPACN-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine
SMILESCc1cccc(C2CC(NC3CCCC3)C2)c1
InChIInChI=1S/C16H23N/c1-12-5-4-6-13(9-12)14-10-16(11-14)17-15-7-2-3-8-15/h4-6,9,14-17H,2-3,7-8,10-11H2,1H3
InChIKeyHQHLOWKBUXCVTQ-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.77
Rot. Bonds3

About N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine

N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine (PubChem CID 43632705) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine
PubChem CID43632705
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine
SMILESCc1cccc(C2CC(NC3CCCC3)C2)c1
InChIInChI=1S/C16H23N/c1-12-5-4-6-13(9-12)14-10-16(11-14)17-15-7-2-3-8-15/h4-6,9,14-17H,2-3,7-8,10-11H2,1H3
InChIKeyHQHLOWKBUXCVTQ-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol
CID 62358842
1-ethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-4-amine
CID 61039134
N-cyclohexyl-1-ethyl-5-(3-methylphenyl)piperidin-3-amine
CID 83999044
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43634382
2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine
CID 83010056
N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43635502
2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
CID 114629282
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
1-chloro-3-(3-methylphenyl)cycloheptane
CID 64506624
1-bromo-3-(3-methylphenyl)cycloheptane
CID 64509415

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine?
The IUPAC name of N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine (CID 43632705) is N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine.
What is the SMILES notation for N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine?
The canonical SMILES for N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine is Cc1cccc(C2CC(NC3CCCC3)C2)c1.
What is the InChIKey of N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine?
The InChIKey is HQHLOWKBUXCVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12-5-4-6-13(9-12)14-10-16(11-14)17-15-7-2-3-8-15/h4-6,9,14-17H,2-3,7-8,10-11H2,1H3.
What are the key properties of N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine?
N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine has a molecular weight of 229.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine is sourced from PubChem (CID 43632705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).