3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile

C13H24N2 — CID 144865572

IUPAC3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile
SMILESCC(C)N(C)C1CCC(CCC#N)CC1
InChIInChI=1S/C13H24N2/c1-11(2)15(3)13-8-6-12(7-9-13)5-4-10-14/h11-13H,4-9H2,1-3H3
InChIKeyIGCMQKIMCZKEFC-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.19
Rot. Bonds4

About 3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile

3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile (PubChem CID 144865572) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile.

Molecular Properties

Compound Name3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile
PubChem CID144865572
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile
SMILESCC(C)N(C)C1CCC(CCC#N)CC1
InChIInChI=1S/C13H24N2/c1-11(2)15(3)13-8-6-12(7-9-13)5-4-10-14/h11-13H,4-9H2,1-3H3
InChIKeyIGCMQKIMCZKEFC-UHFFFAOYSA-N
XLogP3.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile?
The IUPAC name of 3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile (CID 144865572) is 3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile.
What is the SMILES notation for 3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile?
The canonical SMILES for 3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile is CC(C)N(C)C1CCC(CCC#N)CC1.
What is the InChIKey of 3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile?
The InChIKey is IGCMQKIMCZKEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-11(2)15(3)13-8-6-12(7-9-13)5-4-10-14/h11-13H,4-9H2,1-3H3.
What are the key properties of 3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile?
3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile is sourced from PubChem (CID 144865572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).