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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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).