N-(4-methylpentan-2-yl)aniline

C12H19N — CID 10329873

IUPACN-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)Nc1ccccc1
InChIInChI=1S/C12H19N/c1-10(2)9-11(3)13-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3
InChIKeyRVWOAJFOMVFZIH-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.53
Rot. Bonds4

About N-(4-methylpentan-2-yl)aniline

N-(4-methylpentan-2-yl)aniline (PubChem CID 10329873) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)aniline
PubChem CID10329873
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)Nc1ccccc1
InChIInChI=1S/C12H19N/c1-10(2)9-11(3)13-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3
InChIKeyRVWOAJFOMVFZIH-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)aniline?
The IUPAC name of N-(4-methylpentan-2-yl)aniline (CID 10329873) is N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for N-(4-methylpentan-2-yl)aniline is CC(C)CC(C)Nc1ccccc1.
What is the InChIKey of N-(4-methylpentan-2-yl)aniline?
The InChIKey is RVWOAJFOMVFZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)9-11(3)13-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3.
What are the key properties of N-(4-methylpentan-2-yl)aniline?
N-(4-methylpentan-2-yl)aniline has a molecular weight of 177.29 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 10329873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).