3-tert-butyl-N-cyclopentylaniline

C15H23N — CID 176880114

IUPAC3-tert-butyl-N-cyclopentylaniline
SMILESCC(C)(C)c1cccc(NC2CCCC2)c1
InChIInChI=1S/C15H23N/c1-15(2,3)12-7-6-10-14(11-12)16-13-8-4-5-9-13/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3
InChIKeySNLOFGJRVCKWDT-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.34
Rot. Bonds2

About 3-tert-butyl-N-cyclopentylaniline

3-tert-butyl-N-cyclopentylaniline (PubChem CID 176880114) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-tert-butyl-N-cyclopentylaniline.

Molecular Properties

Compound Name3-tert-butyl-N-cyclopentylaniline
PubChem CID176880114
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-tert-butyl-N-cyclopentylaniline
SMILESCC(C)(C)c1cccc(NC2CCCC2)c1
InChIInChI=1S/C15H23N/c1-15(2,3)12-7-6-10-14(11-12)16-13-8-4-5-9-13/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3
InChIKeySNLOFGJRVCKWDT-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
1-(3-tert-butylphenyl)-3-cyclopentylurea
CID 58646048
N-(4-tert-butylphenyl)cyclooctanamine
CID 28526641
N-cyclohexyl-3-ethylaniline
CID 11009024
3-tert-butyl-N-(cyclopropylmethyl)aniline
CID 139034986
N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511245
N-cyclohexyl-3-methylsulfinylaniline
CID 115744089
3-(cyclododecylamino)benzonitrile
CID 63422717
N-cyclopentyl-3-phenoxyaniline
CID 55191413
3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43715534
N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine
CID 91322362

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-cyclopentylaniline?
The IUPAC name of 3-tert-butyl-N-cyclopentylaniline (CID 176880114) is 3-tert-butyl-N-cyclopentylaniline.
What is the SMILES notation for 3-tert-butyl-N-cyclopentylaniline?
The canonical SMILES for 3-tert-butyl-N-cyclopentylaniline is CC(C)(C)c1cccc(NC2CCCC2)c1.
What is the InChIKey of 3-tert-butyl-N-cyclopentylaniline?
The InChIKey is SNLOFGJRVCKWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-15(2,3)12-7-6-10-14(11-12)16-13-8-4-5-9-13/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3.
What are the key properties of 3-tert-butyl-N-cyclopentylaniline?
3-tert-butyl-N-cyclopentylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-cyclopentylaniline is sourced from PubChem (CID 176880114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).