3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile

C12H22N2 — CID 144865539

IUPAC3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile
SMILESCC(C)NC1CCC(CCC#N)CC1
InChIInChI=1S/C12H22N2/c1-10(2)14-12-7-5-11(6-8-12)4-3-9-13/h10-12,14H,3-8H2,1-2H3
InChIKeyISMQXGXKRZDYRE-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.85
Rot. Bonds4

About 3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile

3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile (PubChem CID 144865539) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile.

Molecular Properties

Compound Name3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile
PubChem CID144865539
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile
SMILESCC(C)NC1CCC(CCC#N)CC1
InChIInChI=1S/C12H22N2/c1-10(2)14-12-7-5-11(6-8-12)4-3-9-13/h10-12,14H,3-8H2,1-2H3
InChIKeyISMQXGXKRZDYRE-UHFFFAOYSA-N
XLogP2.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile?
The IUPAC name of 3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile (CID 144865539) is 3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile.
What is the SMILES notation for 3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile?
The canonical SMILES for 3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile is CC(C)NC1CCC(CCC#N)CC1.
What is the InChIKey of 3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile?
The InChIKey is ISMQXGXKRZDYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)14-12-7-5-11(6-8-12)4-3-9-13/h10-12,14H,3-8H2,1-2H3.
What are the key properties of 3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile?
3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile has a molecular weight of 194.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile is sourced from PubChem (CID 144865539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).