2-(3,3,4,4-tetramethylcyclopentyl)aniline

C15H23N — CID 23142752

IUPAC2-(3,3,4,4-tetramethylcyclopentyl)aniline
SMILESCC1(C)CC(c2ccccc2N)CC1(C)C
InChIInChI=1S/C15H23N/c1-14(2)9-11(10-15(14,3)4)12-7-5-6-8-13(12)16/h5-8,11H,9-10,16H2,1-4H3
InChIKeyZJNXCLNDXLYULS-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.20
Rot. Bonds1

About 2-(3,3,4,4-tetramethylcyclopentyl)aniline

2-(3,3,4,4-tetramethylcyclopentyl)aniline (PubChem CID 23142752) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-(3,3,4,4-tetramethylcyclopentyl)aniline.

Molecular Properties

Compound Name2-(3,3,4,4-tetramethylcyclopentyl)aniline
PubChem CID23142752
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-(3,3,4,4-tetramethylcyclopentyl)aniline
SMILESCC1(C)CC(c2ccccc2N)CC1(C)C
InChIInChI=1S/C15H23N/c1-14(2)9-11(10-15(14,3)4)12-7-5-6-8-13(12)16/h5-8,11H,9-10,16H2,1-4H3
InChIKeyZJNXCLNDXLYULS-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-3,3-dimethylcyclohexyl]aniline
CID 125450095
2-(2-cyclopropyl-2-methylcyclopropyl)aniline
CID 172722587
2-[(1S)-2,2-dimethylcyclohexyl]aniline
CID 125449178
2-[(1R)-2,2-dimethylcyclohexyl]aniline
CID 125449181
2-(3-methylcyclohexyl)aniline
CID 15340119
2-(1,1-dioxothian-4-yl)aniline
CID 105483189
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
2-(3-methyloxiran-2-yl)aniline
CID 163937160
2-[4-(2-aminophenyl)-1-phenylcyclohexyl]phenol
CID 67630948
1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine
CID 11198672
2-[(1S,2S)-2-methylcyclohexyl]aniline
CID 124577862
2-(1,3-diazinan-2-yl)aniline
CID 121279061

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4,4-tetramethylcyclopentyl)aniline?
The IUPAC name of 2-(3,3,4,4-tetramethylcyclopentyl)aniline (CID 23142752) is 2-(3,3,4,4-tetramethylcyclopentyl)aniline.
What is the SMILES notation for 2-(3,3,4,4-tetramethylcyclopentyl)aniline?
The canonical SMILES for 2-(3,3,4,4-tetramethylcyclopentyl)aniline is CC1(C)CC(c2ccccc2N)CC1(C)C.
What is the InChIKey of 2-(3,3,4,4-tetramethylcyclopentyl)aniline?
The InChIKey is ZJNXCLNDXLYULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-14(2)9-11(10-15(14,3)4)12-7-5-6-8-13(12)16/h5-8,11H,9-10,16H2,1-4H3.
What are the key properties of 2-(3,3,4,4-tetramethylcyclopentyl)aniline?
2-(3,3,4,4-tetramethylcyclopentyl)aniline has a molecular weight of 217.36 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4-tetramethylcyclopentyl)aniline is sourced from PubChem (CID 23142752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).