N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine

C18H29N — CID 63450215

IUPACN-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCCC2CCCC2)c1
InChIInChI=1S/C18H29N/c1-15-6-5-9-18(14-15)11-10-16(2)19-13-12-17-7-3-4-8-17/h5-6,9,14,16-17,19H,3-4,7-8,10-13H2,1-2H3
InChIKeyNERFOKTXCOOKPF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.49
Rot. Bonds7

About N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine

N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine (PubChem CID 63450215) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
PubChem CID63450215
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCCC2CCCC2)c1
InChIInChI=1S/C18H29N/c1-15-6-5-9-18(14-15)11-10-16(2)19-13-12-17-7-3-4-8-17/h5-6,9,14,16-17,19H,3-4,7-8,10-13H2,1-2H3
InChIKeyNERFOKTXCOOKPF-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine
CID 83229577
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 113475005
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 61241070
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004794
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol
CID 103271353
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 64742986
N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide
CID 79377026
2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine
CID 83010343

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine (CID 63450215) is N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(C)NCCC2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine?
The InChIKey is NERFOKTXCOOKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-15-6-5-9-18(14-15)11-10-16(2)19-13-12-17-7-3-4-8-17/h5-6,9,14,16-17,19H,3-4,7-8,10-13H2,1-2H3.
What are the key properties of N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine?
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 63450215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).