3-(1-aminopropan-2-ylamino)benzonitrile

C10H13N3 — CID 82503421

IUPAC3-(1-aminopropan-2-ylamino)benzonitrile
SMILESCC(CN)Nc1cccc(C#N)c1
InChIInChI=1S/C10H13N3/c1-8(6-11)13-10-4-2-3-9(5-10)7-12/h2-5,8,13H,6,11H2,1H3
InChIKeyAVZDBNQTRLHBGB-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.32
Rot. Bonds3

About 3-(1-aminopropan-2-ylamino)benzonitrile

3-(1-aminopropan-2-ylamino)benzonitrile (PubChem CID 82503421) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(1-aminopropan-2-ylamino)benzonitrile.

Molecular Properties

Compound Name3-(1-aminopropan-2-ylamino)benzonitrile
PubChem CID82503421
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name3-(1-aminopropan-2-ylamino)benzonitrile
SMILESCC(CN)Nc1cccc(C#N)c1
InChIInChI=1S/C10H13N3/c1-8(6-11)13-10-4-2-3-9(5-10)7-12/h2-5,8,13H,6,11H2,1H3
InChIKeyAVZDBNQTRLHBGB-UHFFFAOYSA-N
XLogP1.32
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-ethynylphenyl)propane-1,2-diamine
CID 82503374
3-(6-methylheptan-2-ylamino)benzonitrile
CID 102815676
2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile
CID 130704957
3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile
CID 43762494
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
3-(but-3-en-2-ylamino)benzonitrile
CID 102817370
4-(1-aminopropan-2-ylamino)-3-methylbenzonitrile
CID 63733387
2-(3-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43113543
3-(2,3-dimethylbutylamino)benzonitrile
CID 102816588
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]benzonitrile
CID 106189087
3-[[2,2,2-trichloro-1-(3-cyanoanilino)ethyl]amino]benzonitrile
CID 95559270
ethyl 2-(3-cyanoanilino)butanoate
CID 64667136

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-ylamino)benzonitrile?
The IUPAC name of 3-(1-aminopropan-2-ylamino)benzonitrile (CID 82503421) is 3-(1-aminopropan-2-ylamino)benzonitrile.
What is the SMILES notation for 3-(1-aminopropan-2-ylamino)benzonitrile?
The canonical SMILES for 3-(1-aminopropan-2-ylamino)benzonitrile is CC(CN)Nc1cccc(C#N)c1.
What is the InChIKey of 3-(1-aminopropan-2-ylamino)benzonitrile?
The InChIKey is AVZDBNQTRLHBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8(6-11)13-10-4-2-3-9(5-10)7-12/h2-5,8,13H,6,11H2,1H3.
What are the key properties of 3-(1-aminopropan-2-ylamino)benzonitrile?
3-(1-aminopropan-2-ylamino)benzonitrile has a molecular weight of 175.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-ylamino)benzonitrile is sourced from PubChem (CID 82503421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).