N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine

C17H25N — CID 79984316

IUPACN-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2ccc(C3CC3)cc2)C1C
InChIInChI=1S/C17H25N/c1-12-3-10-17(13(12)2)18-11-14-4-6-15(7-5-14)16-8-9-16/h4-7,12-13,16-18H,3,8-11H2,1-2H3
InChIKeyXCWKNGYHIMKWCB-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.09
Rot. Bonds4

About N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine

N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 79984316) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID79984316
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2ccc(C3CC3)cc2)C1C
InChIInChI=1S/C17H25N/c1-12-3-10-17(13(12)2)18-11-14-4-6-15(7-5-14)16-8-9-16/h4-7,12-13,16-18H,3,8-11H2,1-2H3
InChIKeyXCWKNGYHIMKWCB-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 ≤ 500243.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907324
N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908240
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 11920641
2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol
CID 64909509
2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 64907785
N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 79979070
4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline
CID 43079092
2,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 64907975
3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile
CID 64908206
N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine
CID 64908026
N-[(3,4-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43081867

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 79984316) is N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine is CC1CCC(NCc2ccc(C3CC3)cc2)C1C.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is XCWKNGYHIMKWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-3-10-17(13(12)2)18-11-14-4-6-15(7-5-14)16-8-9-16/h4-7,12-13,16-18H,3,8-11H2,1-2H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 243.39 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 N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79984316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).