N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine

C18H29N — CID 82262683

IUPACN-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine
SMILESCCC(C)c1ccc(CC(C)NC2CCCC2)cc1
InChIInChI=1S/C18H29N/c1-4-14(2)17-11-9-16(10-12-17)13-15(3)19-18-7-5-6-8-18/h9-12,14-15,18-19H,4-8,13H2,1-3H3
InChIKeyKTYSHNLFAUSIJD-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.66
Rot. Bonds6

About N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine

N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine (PubChem CID 82262683) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine
PubChem CID82262683
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine
SMILESCCC(C)c1ccc(CC(C)NC2CCCC2)cc1
InChIInChI=1S/C18H29N/c1-4-14(2)17-11-9-16(10-12-17)13-15(3)19-18-7-5-6-8-18/h9-12,14-15,18-19H,4-8,13H2,1-3H3
InChIKeyKTYSHNLFAUSIJD-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopentanamine
CID 82262639
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
4-butan-2-yl-N-cyclopentylaniline
CID 43681058
1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine
CID 82262358
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
CID 65091426
N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
CID 82262595
N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]cyclopropanamine
CID 82262583

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine (CID 82262683) is N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine is CCC(C)c1ccc(CC(C)NC2CCCC2)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine?
The InChIKey is KTYSHNLFAUSIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-14(2)17-11-9-16(10-12-17)13-15(3)19-18-7-5-6-8-18/h9-12,14-15,18-19H,4-8,13H2,1-3H3.
What are the key properties of N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine?
N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine has a molecular weight of 259.44 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine is sourced from PubChem (CID 82262683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).