N-(2,4,4-trimethylcyclopentyl)aniline

C14H21N — CID 106661502

IUPACN-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1ccccc1
InChIInChI=1S/C14H21N/c1-11-9-14(2,3)10-13(11)15-12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3
InChIKeyPEICVIPVYZPBOY-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.92
Rot. Bonds2

About N-(2,4,4-trimethylcyclopentyl)aniline

N-(2,4,4-trimethylcyclopentyl)aniline (PubChem CID 106661502) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(2,4,4-trimethylcyclopentyl)aniline.

Molecular Properties

Compound NameN-(2,4,4-trimethylcyclopentyl)aniline
PubChem CID106661502
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1ccccc1
InChIInChI=1S/C14H21N/c1-11-9-14(2,3)10-13(11)15-12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3
InChIKeyPEICVIPVYZPBOY-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Ethylaniline
CID 7670
N-Isopropylaniline
CID 13032
N-Butylaniline
CID 14310
N,N'-bis(1,4-dimethylpentyl)-p-phenylenediamine
CID 18320
N,N'-bis(1-ethyl-3-methylpentyl)-p-phenylenediamine
CID 94138
Benzenamine, N-(3-methylbutyl)-
CID 222659
N-sec-Butylaniline
CID 253532
Benzenamine, N-propyl-
CID 12153
N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline
CID 2774184
N-Methallylaniline
CID 253225
N-(3-methylbut-2-en-1-yl)aniline
CID 263186
N-Cyclopentylaniline
CID 142481

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylcyclopentyl)aniline?
The IUPAC name of N-(2,4,4-trimethylcyclopentyl)aniline (CID 106661502) is N-(2,4,4-trimethylcyclopentyl)aniline.
What is the SMILES notation for N-(2,4,4-trimethylcyclopentyl)aniline?
The canonical SMILES for N-(2,4,4-trimethylcyclopentyl)aniline is CC1CC(C)(C)CC1Nc1ccccc1.
What is the InChIKey of N-(2,4,4-trimethylcyclopentyl)aniline?
The InChIKey is PEICVIPVYZPBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-9-14(2,3)10-13(11)15-12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3.
What are the key properties of N-(2,4,4-trimethylcyclopentyl)aniline?
N-(2,4,4-trimethylcyclopentyl)aniline has a molecular weight of 203.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylcyclopentyl)aniline is sourced from PubChem (CID 106661502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).