N-(2,2-dimethylcyclopropyl)aniline

C11H15N — CID 122457066

IUPACN-(2,2-dimethylcyclopropyl)aniline
SMILESCC1(C)CC1Nc1ccccc1
InChIInChI=1S/C11H15N/c1-11(2)8-10(11)12-9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3
InChIKeyLLQJPPJGUZJNAJ-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.90
Rot. Bonds2

About N-(2,2-dimethylcyclopropyl)aniline

N-(2,2-dimethylcyclopropyl)aniline (PubChem CID 122457066) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)aniline
PubChem CID122457066
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(2,2-dimethylcyclopropyl)aniline
SMILESCC1(C)CC1Nc1ccccc1
InChIInChI=1S/C11H15N/c1-11(2)8-10(11)12-9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3
InChIKeyLLQJPPJGUZJNAJ-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine
CID 518954
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
(2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine
CID 1377984
1-N-[3-(4-anilinoanilino)-2,2,4,4-tetramethylcyclobutyl]-4-N-phenylbenzene-1,4-diamine
CID 130467285
2-bromo-4-[(2,2-dimethylcyclopropyl)amino]benzoic acid
CID 107281793
N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine
CID 61223865
N-(2,2-dimethylcyclopropyl)-4-methylphthalazin-1-amine
CID 61222397
2-anilino-4,4-dimethylcyclohexan-1-one
CID 57175118
4-anilino-5,5-dimethylcyclohex-2-en-1-one
CID 102226489
N-cyclopropylaniline;hydrochloride
CID 44717153
N-(2,2-dimethylcyclopropyl)-3-methylpyridin-2-amine
CID 62255671

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)aniline?
The IUPAC name of N-(2,2-dimethylcyclopropyl)aniline (CID 122457066) is N-(2,2-dimethylcyclopropyl)aniline.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)aniline?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)aniline is CC1(C)CC1Nc1ccccc1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)aniline?
The InChIKey is LLQJPPJGUZJNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-11(2)8-10(11)12-9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclopropyl)aniline?
N-(2,2-dimethylcyclopropyl)aniline has a molecular weight of 161.25 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)aniline is sourced from PubChem (CID 122457066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).