2-(2-cyclopropyl-2-methylcyclopropyl)aniline

C13H17N — CID 172722587

IUPAC2-(2-cyclopropyl-2-methylcyclopropyl)aniline
SMILESCC1(C2CC2)CC1c1ccccc1N
InChIInChI=1S/C13H17N/c1-13(9-6-7-9)8-11(13)10-4-2-3-5-12(10)14/h2-5,9,11H,6-8,14H2,1H3
InChIKeyGSGMVZAYOUOQFT-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.17
Rot. Bonds2

About 2-(2-cyclopropyl-2-methylcyclopropyl)aniline

2-(2-cyclopropyl-2-methylcyclopropyl)aniline (PubChem CID 172722587) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-methylcyclopropyl)aniline.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-methylcyclopropyl)aniline
PubChem CID172722587
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-(2-cyclopropyl-2-methylcyclopropyl)aniline
SMILESCC1(C2CC2)CC1c1ccccc1N
InChIInChI=1S/C13H17N/c1-13(9-6-7-9)8-11(13)10-4-2-3-5-12(10)14/h2-5,9,11H,6-8,14H2,1H3
InChIKeyGSGMVZAYOUOQFT-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.17
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

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CID 23142752
2-[(1R)-2,2-dimethylcyclohexyl]aniline
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2-[(1S)-2,2-dimethylcyclohexyl]aniline
CID 125449178
2-[(1S)-3,3-dimethylcyclohexyl]aniline
CID 125450095
2-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)aniline
CID 23087080
2-[(1S,2S)-2-methylcyclohexyl]aniline
CID 124577862
2-[4-(2-aminophenyl)-1-phenylcyclohexyl]phenol
CID 67630948
1-cyclopropyl-2-(2-methylphenyl)cyclopropan-1-amine
CID 84661105
2-(3-methyloxiran-2-yl)aniline
CID 163937160
2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane
CID 90802702
2-(3-methylcyclohexyl)aniline
CID 15340119
2-(1,2,3-trimethylcyclopropyl)aniline
CID 144876665

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-methylcyclopropyl)aniline?
The IUPAC name of 2-(2-cyclopropyl-2-methylcyclopropyl)aniline (CID 172722587) is 2-(2-cyclopropyl-2-methylcyclopropyl)aniline.
What is the SMILES notation for 2-(2-cyclopropyl-2-methylcyclopropyl)aniline?
The canonical SMILES for 2-(2-cyclopropyl-2-methylcyclopropyl)aniline is CC1(C2CC2)CC1c1ccccc1N.
What is the InChIKey of 2-(2-cyclopropyl-2-methylcyclopropyl)aniline?
The InChIKey is GSGMVZAYOUOQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-13(9-6-7-9)8-11(13)10-4-2-3-5-12(10)14/h2-5,9,11H,6-8,14H2,1H3.
What are the key properties of 2-(2-cyclopropyl-2-methylcyclopropyl)aniline?
2-(2-cyclopropyl-2-methylcyclopropyl)aniline has a molecular weight of 187.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-methylcyclopropyl)aniline is sourced from PubChem (CID 172722587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).