3-[(4-ethylcyclohexyl)-methylamino]propanenitrile

C12H22N2 — CID 61450909

IUPAC3-[(4-ethylcyclohexyl)-methylamino]propanenitrile
SMILESCCC1CCC(N(C)CCC#N)CC1
InChIInChI=1S/C12H22N2/c1-3-11-5-7-12(8-6-11)14(2)10-4-9-13/h11-12H,3-8,10H2,1-2H3
InChIKeyWEJDIBZXSSEBCB-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.80
Rot. Bonds4

About 3-[(4-ethylcyclohexyl)-methylamino]propanenitrile

3-[(4-ethylcyclohexyl)-methylamino]propanenitrile (PubChem CID 61450909) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)-methylamino]propanenitrile
PubChem CID61450909
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[(4-ethylcyclohexyl)-methylamino]propanenitrile
SMILESCCC1CCC(N(C)CCC#N)CC1
InChIInChI=1S/C12H22N2/c1-3-11-5-7-12(8-6-11)14(2)10-4-9-13/h11-12H,3-8,10H2,1-2H3
InChIKeyWEJDIBZXSSEBCB-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]propanenitrile?
The IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]propanenitrile (CID 61450909) is 3-[(4-ethylcyclohexyl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(4-ethylcyclohexyl)-methylamino]propanenitrile is CCC1CCC(N(C)CCC#N)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)-methylamino]propanenitrile?
The InChIKey is WEJDIBZXSSEBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-11-5-7-12(8-6-11)14(2)10-4-9-13/h11-12H,3-8,10H2,1-2H3.
What are the key properties of 3-[(4-ethylcyclohexyl)-methylamino]propanenitrile?
3-[(4-ethylcyclohexyl)-methylamino]propanenitrile has a molecular weight of 194.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)-methylamino]propanenitrile is sourced from PubChem (CID 61450909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).