3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile

C12H20N4 — CID 66162579

IUPAC3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile
SMILESCCC(CC#N)NCc1cncn1C(C)C
InChIInChI=1S/C12H20N4/c1-4-11(5-6-13)15-8-12-7-14-9-16(12)10(2)3/h7,9-11,15H,4-5,8H2,1-3H3
InChIKeyCHDBKHWDLWQMOY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.25
Rot. Bonds6

About 3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile

3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile (PubChem CID 66162579) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile.

Molecular Properties

Compound Name3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile
PubChem CID66162579
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile
SMILESCCC(CC#N)NCc1cncn1C(C)C
InChIInChI=1S/C12H20N4/c1-4-11(5-6-13)15-8-12-7-14-9-16(12)10(2)3/h7,9-11,15H,4-5,8H2,1-3H3
InChIKeyCHDBKHWDLWQMOY-UHFFFAOYSA-N
XLogP2.25
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66130085
(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 104868842
1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine
CID 66162188
N-[(3-propan-2-ylimidazol-4-yl)methyl]hex-1-yn-3-amine
CID 106227160
2-(3-propan-2-ylimidazol-4-yl)acetonitrile
CID 84763142
1-(4-bromophenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66132292
N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine
CID 66148631
6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine
CID 66131081
1-propan-2-yl-5-propylimidazole
CID 139308338
3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile
CID 81311591
(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81387906
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
CID 106302966

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile?
The IUPAC name of 3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile (CID 66162579) is 3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile.
What is the SMILES notation for 3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile?
The canonical SMILES for 3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile is CCC(CC#N)NCc1cncn1C(C)C.
What is the InChIKey of 3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile?
The InChIKey is CHDBKHWDLWQMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-11(5-6-13)15-8-12-7-14-9-16(12)10(2)3/h7,9-11,15H,4-5,8H2,1-3H3.
What are the key properties of 3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile?
3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile has a molecular weight of 220.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile is sourced from PubChem (CID 66162579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).