N-(3-methylpentan-2-yl)-4-propan-2-ylaniline

C15H25N — CID 43101164

IUPACN-(3-methylpentan-2-yl)-4-propan-2-ylaniline
SMILESCCC(C)C(C)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25N/c1-6-12(4)13(5)16-15-9-7-14(8-10-15)11(2)3/h7-13,16H,6H2,1-5H3
InChIKeyKJBIXOGHGSTAKD-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.66
Rot. Bonds5

About N-(3-methylpentan-2-yl)-4-propan-2-ylaniline

N-(3-methylpentan-2-yl)-4-propan-2-ylaniline (PubChem CID 43101164) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)-4-propan-2-ylaniline
PubChem CID43101164
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-(3-methylpentan-2-yl)-4-propan-2-ylaniline
SMILESCCC(C)C(C)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25N/c1-6-12(4)13(5)16-15-9-7-14(8-10-15)11(2)3/h7-13,16H,6H2,1-5H3
InChIKeyKJBIXOGHGSTAKD-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methylpentan-2-yl)-4-propylaniline
CID 43096096
N-(3-methylpentan-2-yl)-4-methylsulfonylaniline
CID 43201165
2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide
CID 43683718
N-(3-methylpentan-2-yl)-4-(trifluoromethoxy)aniline
CID 43095630
N-(3-methylpentan-2-yl)-4-pentylaniline
CID 43103147
4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide
CID 54864938
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326
2-N-(4-propan-2-ylphenyl)propane-1,2-diamine
CID 103387154
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline
CID 43722361

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)-4-propan-2-ylaniline?
The IUPAC name of N-(3-methylpentan-2-yl)-4-propan-2-ylaniline (CID 43101164) is N-(3-methylpentan-2-yl)-4-propan-2-ylaniline.
What is the SMILES notation for N-(3-methylpentan-2-yl)-4-propan-2-ylaniline?
The canonical SMILES for N-(3-methylpentan-2-yl)-4-propan-2-ylaniline is CCC(C)C(C)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-(3-methylpentan-2-yl)-4-propan-2-ylaniline?
The InChIKey is KJBIXOGHGSTAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-12(4)13(5)16-15-9-7-14(8-10-15)11(2)3/h7-13,16H,6H2,1-5H3.
What are the key properties of N-(3-methylpentan-2-yl)-4-propan-2-ylaniline?
N-(3-methylpentan-2-yl)-4-propan-2-ylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)-4-propan-2-ylaniline is sourced from PubChem (CID 43101164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).