N-(2,2-dimethylcyclobutyl)-2-methylaniline

C13H19N — CID 130532967

IUPACN-(2,2-dimethylcyclobutyl)-2-methylaniline
SMILESCc1ccccc1NC1CCC1(C)C
InChIInChI=1S/C13H19N/c1-10-6-4-5-7-11(10)14-12-8-9-13(12,2)3/h4-7,12,14H,8-9H2,1-3H3
InChIKeyVAPIJXFLVFDQRI-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.60
Rot. Bonds2

About N-(2,2-dimethylcyclobutyl)-2-methylaniline

N-(2,2-dimethylcyclobutyl)-2-methylaniline (PubChem CID 130532967) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(2,2-dimethylcyclobutyl)-2-methylaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclobutyl)-2-methylaniline
PubChem CID130532967
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-(2,2-dimethylcyclobutyl)-2-methylaniline
SMILESCc1ccccc1NC1CCC1(C)C
InChIInChI=1S/C13H19N/c1-10-6-4-5-7-11(10)14-12-8-9-13(12,2)3/h4-7,12,14H,8-9H2,1-3H3
InChIKeyVAPIJXFLVFDQRI-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline
CID 114254485
N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline
CID 79860481
N-(2,2-dimethylcyclohexyl)-2-fluoroaniline
CID 79828760
N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline
CID 79859896
N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline
CID 79829148
N-(2,2-dimethylcyclopentyl)-4-fluoro-2-methylaniline
CID 79864742
4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline
CID 79864654
N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 79829574
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808
N-(2-methylphenyl)pyrrolidin-3-amine
CID 79725314
N-(2,2-dimethylcyclohexyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79829071
1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 62976686

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclobutyl)-2-methylaniline?
The IUPAC name of N-(2,2-dimethylcyclobutyl)-2-methylaniline (CID 130532967) is N-(2,2-dimethylcyclobutyl)-2-methylaniline.
What is the SMILES notation for N-(2,2-dimethylcyclobutyl)-2-methylaniline?
The canonical SMILES for N-(2,2-dimethylcyclobutyl)-2-methylaniline is Cc1ccccc1NC1CCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclobutyl)-2-methylaniline?
The InChIKey is VAPIJXFLVFDQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-6-4-5-7-11(10)14-12-8-9-13(12,2)3/h4-7,12,14H,8-9H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclobutyl)-2-methylaniline?
N-(2,2-dimethylcyclobutyl)-2-methylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclobutyl)-2-methylaniline is sourced from PubChem (CID 130532967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).