2-amino-2-(3-propylimidazol-4-yl)acetonitrile

C8H12N4 — CID 66130812

IUPAC2-amino-2-(3-propylimidazol-4-yl)acetonitrile
SMILESCCCn1cncc1C(N)C#N
InChIInChI=1S/C8H12N4/c1-2-3-12-6-11-5-8(12)7(10)4-9/h5-7H,2-3,10H2,1H3
InChIKeyNYTKBXQRLBBMKR-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.82
Rot. Bonds3

About 2-amino-2-(3-propylimidazol-4-yl)acetonitrile

2-amino-2-(3-propylimidazol-4-yl)acetonitrile (PubChem CID 66130812) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-amino-2-(3-propylimidazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(3-propylimidazol-4-yl)acetonitrile
PubChem CID66130812
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-amino-2-(3-propylimidazol-4-yl)acetonitrile
SMILESCCCn1cncc1C(N)C#N
InChIInChI=1S/C8H12N4/c1-2-3-12-6-11-5-8(12)7(10)4-9/h5-7H,2-3,10H2,1H3
InChIKeyNYTKBXQRLBBMKR-UHFFFAOYSA-N
XLogP0.82
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-2-(3-propylimidazol-4-yl)acetonitrile
CID 83085488
2-amino-1-(3-propylimidazol-4-yl)butan-1-ol
CID 66129932
1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile
CID 79126912
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130411
N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131396
2-(4-methoxyanilino)-2-(3-propylimidazol-4-yl)acetonitrile
CID 66131417
3-propylimidazole-4-carboxylic acid
CID 45082087
(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
CID 54225588
2-(3-bromoanilino)-2-(3-propylimidazol-4-yl)acetonitrile
CID 66131811
2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid
CID 66130451
3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine
CID 115347460

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-propylimidazol-4-yl)acetonitrile?
The IUPAC name of 2-amino-2-(3-propylimidazol-4-yl)acetonitrile (CID 66130812) is 2-amino-2-(3-propylimidazol-4-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(3-propylimidazol-4-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(3-propylimidazol-4-yl)acetonitrile is CCCn1cncc1C(N)C#N.
What is the InChIKey of 2-amino-2-(3-propylimidazol-4-yl)acetonitrile?
The InChIKey is NYTKBXQRLBBMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-2-3-12-6-11-5-8(12)7(10)4-9/h5-7H,2-3,10H2,1H3.
What are the key properties of 2-amino-2-(3-propylimidazol-4-yl)acetonitrile?
2-amino-2-(3-propylimidazol-4-yl)acetonitrile has a molecular weight of 164.21 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-propylimidazol-4-yl)acetonitrile is sourced from PubChem (CID 66130812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).