N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine

C19H29N — CID 107191450

IUPACN-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cccc(C2CCC2)c1)C1CCCC1C
InChIInChI=1S/C19H29N/c1-3-20-19(18-12-4-7-14(18)2)17-11-6-10-16(13-17)15-8-5-9-15/h6,10-11,13-15,18-20H,3-5,7-9,12H2,1-2H3
InChIKeyRLAROBDMYRVSCG-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.04
Rot. Bonds5

About N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine

N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 107191450) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
PubChem CID107191450
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cccc(C2CCC2)c1)C1CCCC1C
InChIInChI=1S/C19H29N/c1-3-20-19(18-12-4-7-14(18)2)17-11-6-10-16(13-17)15-8-5-9-15/h6,10-11,13-15,18-20H,3-5,7-9,12H2,1-2H3
InChIKeyRLAROBDMYRVSCG-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105053721
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 114603256
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114603052
1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 114603906
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine (CID 107191450) is N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine is CCNC(c1cccc(C2CCC2)c1)C1CCCC1C.
What is the InChIKey of N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is RLAROBDMYRVSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-20-19(18-12-4-7-14(18)2)17-11-6-10-16(13-17)15-8-5-9-15/h6,10-11,13-15,18-20H,3-5,7-9,12H2,1-2H3.
What are the key properties of N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine has a molecular weight of 271.45 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107191450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).