4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile

C15H28N2 — CID 55000102

IUPAC4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCC(C)CN(C(C)C)C1CC(C)CCC1C#N
InChIInChI=1S/C15H28N2/c1-11(2)10-17(12(3)4)15-8-13(5)6-7-14(15)9-16/h11-15H,6-8,10H2,1-5H3
InChIKeyXKAIVLUCZBHPSO-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.68
Rot. Bonds4

About 4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile

4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 55000102) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
PubChem CID55000102
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCC(C)CN(C(C)C)C1CC(C)CCC1C#N
InChIInChI=1S/C15H28N2/c1-11(2)10-17(12(3)4)15-8-13(5)6-7-14(15)9-16/h11-15H,6-8,10H2,1-5H3
InChIKeyXKAIVLUCZBHPSO-UHFFFAOYSA-N
XLogP3.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile (CID 55000102) is 4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile is CC(C)CN(C(C)C)C1CC(C)CCC1C#N.
What is the InChIKey of 4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is XKAIVLUCZBHPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-11(2)10-17(12(3)4)15-8-13(5)6-7-14(15)9-16/h11-15H,6-8,10H2,1-5H3.
What are the key properties of 4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile?
4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 236.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 55000102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).