4-(2-iminopentan-3-yl)aniline

C11H16N2 — CID 174558407

IUPAC4-(2-iminopentan-3-yl)aniline
SMILES[H]/N=C(\C)C(CC)c1ccc(N)cc1
InChIInChI=1S/C11H16N2/c1-3-11(8(2)12)9-4-6-10(13)7-5-9/h4-7,11-12H,3,13H2,1-2H3/b12-8+
InChIKeyJKNBGXLSKXWMAW-XYOKQWHBSA-N
MW176.26 g/mol
LogP2.80
Rot. Bonds3

About 4-(2-iminopentan-3-yl)aniline

4-(2-iminopentan-3-yl)aniline (PubChem CID 174558407) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-(2-iminopentan-3-yl)aniline.

Molecular Properties

Compound Name4-(2-iminopentan-3-yl)aniline
PubChem CID174558407
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-(2-iminopentan-3-yl)aniline
SMILES[H]/N=C(\C)C(CC)c1ccc(N)cc1
InChIInChI=1S/C11H16N2/c1-3-11(8(2)12)9-4-6-10(13)7-5-9/h4-7,11-12H,3,13H2,1-2H3/b12-8+
InChIKeyJKNBGXLSKXWMAW-XYOKQWHBSA-N
XLogP2.80
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
CID 6990315
(2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
CID 95561132
4-[(4-aminophenyl)methyl]-5-imino-3-propylhexan-2-one
CID 123779727
2-imino-3-phenylpentanoic acid
CID 174622056
4-[(1R)-1-phenylpropyl]aniline
CID 164669947
(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol
CID 76963597
3-ethylpentan-2-imine
CID 91583168
ethyl (2R)-2-(4-aminophenyl)hexanoate
CID 124565457
(4-aminophenyl) ethanimidate
CID 145343014
(3S)-4-ethyl-2-iminohexan-3-amine
CID 166901408
(2R)-N-ethyl-N-methyl-2-phenylbutanimidamide
CID 174541006
benzene-1,4-diamine;butane
CID 67434753

Frequently Asked Questions

What is the IUPAC name of 4-(2-iminopentan-3-yl)aniline?
The IUPAC name of 4-(2-iminopentan-3-yl)aniline (CID 174558407) is 4-(2-iminopentan-3-yl)aniline.
What is the SMILES notation for 4-(2-iminopentan-3-yl)aniline?
The canonical SMILES for 4-(2-iminopentan-3-yl)aniline is [H]/N=C(\C)C(CC)c1ccc(N)cc1.
What is the InChIKey of 4-(2-iminopentan-3-yl)aniline?
The InChIKey is JKNBGXLSKXWMAW-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-11(8(2)12)9-4-6-10(13)7-5-9/h4-7,11-12H,3,13H2,1-2H3/b12-8+.
What are the key properties of 4-(2-iminopentan-3-yl)aniline?
4-(2-iminopentan-3-yl)aniline has a molecular weight of 176.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iminopentan-3-yl)aniline is sourced from PubChem (CID 174558407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).