N-cyclopentyl-2-methylaniline

C12H17N — CID 1239851

IUPACN-cyclopentyl-2-methylaniline
SMILESCc1ccccc1NC1CCCC1
InChIInChI=1S/C12H17N/c1-10-6-2-5-9-12(10)13-11-7-3-4-8-11/h2,5-6,9,11,13H,3-4,7-8H2,1H3
InChIKeyXLQBKVMDWIZQEV-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.35
Rot. Bonds2

About N-cyclopentyl-2-methylaniline

N-cyclopentyl-2-methylaniline (PubChem CID 1239851) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-cyclopentyl-2-methylaniline.

Molecular Properties

Compound NameN-cyclopentyl-2-methylaniline
PubChem CID1239851
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-cyclopentyl-2-methylaniline
SMILESCc1ccccc1NC1CCCC1
InChIInChI=1S/C12H17N/c1-10-6-2-5-9-12(10)13-11-7-3-4-8-11/h2,5-6,9,11,13H,3-4,7-8H2,1H3
InChIKeyXLQBKVMDWIZQEV-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methylaniline?
The IUPAC name of N-cyclopentyl-2-methylaniline (CID 1239851) is N-cyclopentyl-2-methylaniline.
What is the SMILES notation for N-cyclopentyl-2-methylaniline?
The canonical SMILES for N-cyclopentyl-2-methylaniline is Cc1ccccc1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methylaniline?
The InChIKey is XLQBKVMDWIZQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-6-2-5-9-12(10)13-11-7-3-4-8-11/h2,5-6,9,11,13H,3-4,7-8H2,1H3.
What are the key properties of N-cyclopentyl-2-methylaniline?
N-cyclopentyl-2-methylaniline has a molecular weight of 175.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methylaniline is sourced from PubChem (CID 1239851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).