N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine

C17H27N — CID 115795037

IUPACN-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)C1(C)CCCC1
InChIInChI=1S/C17H27N/c1-4-13-18-16(17(3)11-7-8-12-17)15-10-6-5-9-14(15)2/h5-6,9-10,16,18H,4,7-8,11-13H2,1-3H3
InChIKeyRTWXTVLLEYVLON-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.62
Rot. Bonds5

About N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine

N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine (PubChem CID 115795037) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine
PubChem CID115795037
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)C1(C)CCCC1
InChIInChI=1S/C17H27N/c1-4-13-18-16(17(3)11-7-8-12-17)15-10-6-5-9-14(15)2/h5-6,9-10,16,18H,4,7-8,11-13H2,1-3H3
InChIKeyRTWXTVLLEYVLON-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
N-methyl-1-(1-methylcyclohexyl)-1-(2-methylphenyl)methanamine
CID 106829818
N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106826930
N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 115801708
N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105052066
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 114745895
N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278
N-[(1-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134493
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
[(2,3-dimethylphenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105300508
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine (CID 115795037) is N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1C)C1(C)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine?
The InChIKey is RTWXTVLLEYVLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-13-18-16(17(3)11-7-8-12-17)15-10-6-5-9-14(15)2/h5-6,9-10,16,18H,4,7-8,11-13H2,1-3H3.
What are the key properties of N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine?
N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115795037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).