4-butan-2-yl-N-cyclopentylaniline

C15H23N — CID 43681058

IUPAC4-butan-2-yl-N-cyclopentylaniline
SMILESCCC(C)c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C15H23N/c1-3-12(2)13-8-10-15(11-9-13)16-14-6-4-5-7-14/h8-12,14,16H,3-7H2,1-2H3
InChIKeyPDMNGEASOQWHKO-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.55
Rot. Bonds4

About 4-butan-2-yl-N-cyclopentylaniline

4-butan-2-yl-N-cyclopentylaniline (PubChem CID 43681058) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-butan-2-yl-N-cyclopentylaniline.

Molecular Properties

Compound Name4-butan-2-yl-N-cyclopentylaniline
PubChem CID43681058
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-butan-2-yl-N-cyclopentylaniline
SMILESCCC(C)c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C15H23N/c1-3-12(2)13-8-10-15(11-9-13)16-14-6-4-5-7-14/h8-12,14,16H,3-7H2,1-2H3
InChIKeyPDMNGEASOQWHKO-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-butan-2-ylphenyl)azepan-4-amine
CID 103981065
N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083892
4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine
CID 79724803
N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine
CID 82262683
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802
N-(4-ethylphenyl)cyclododecanamine
CID 63422898
4-butan-2-yl-N-(dicyclopropylmethyl)aniline
CID 43681135
[(4-butan-2-ylphenyl)-chloromethyl]cyclooctane
CID 65023335
4-butan-2-yl-N-methylaniline
CID 22675641
4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454135
2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid
CID 82484792
1-[1-(4-butan-2-ylphenyl)propyl]-3-cyclohexylthiourea
CID 19675584

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-cyclopentylaniline?
The IUPAC name of 4-butan-2-yl-N-cyclopentylaniline (CID 43681058) is 4-butan-2-yl-N-cyclopentylaniline.
What is the SMILES notation for 4-butan-2-yl-N-cyclopentylaniline?
The canonical SMILES for 4-butan-2-yl-N-cyclopentylaniline is CCC(C)c1ccc(NC2CCCC2)cc1.
What is the InChIKey of 4-butan-2-yl-N-cyclopentylaniline?
The InChIKey is PDMNGEASOQWHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-12(2)13-8-10-15(11-9-13)16-14-6-4-5-7-14/h8-12,14,16H,3-7H2,1-2H3.
What are the key properties of 4-butan-2-yl-N-cyclopentylaniline?
4-butan-2-yl-N-cyclopentylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-cyclopentylaniline is sourced from PubChem (CID 43681058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).