2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile

C16H30N2 — CID 43291990

IUPAC2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile
SMILESCCC(C)N(C)C1CC(C(C)(C)C)CCC1C#N
InChIInChI=1S/C16H30N2/c1-7-12(2)18(6)15-10-14(16(3,4)5)9-8-13(15)11-17/h12-15H,7-10H2,1-6H3
InChIKeyBIVGWXFVUJGPDQ-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.07
Rot. Bonds3

About 2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile

2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile (PubChem CID 43291990) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile
PubChem CID43291990
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile
SMILESCCC(C)N(C)C1CC(C(C)(C)C)CCC1C#N
InChIInChI=1S/C16H30N2/c1-7-12(2)18(6)15-10-14(16(3,4)5)9-8-13(15)11-17/h12-15H,7-10H2,1-6H3
InChIKeyBIVGWXFVUJGPDQ-UHFFFAOYSA-N
XLogP4.07
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-[methyl(1-methylsulfanylbutan-2-yl)amino]cyclohexane-1-carbonitrile
CID 115985822
4-tert-butyl-2-[cyclopentylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 63632465
4-tert-butyl-2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carbonitrile
CID 63693484
4-tert-butyl-2-[cyclopropylmethyl(ethyl)amino]cyclohexane-1-carbonitrile
CID 63956800
4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 63513459
4-tert-butyl-2-[2-ethoxyethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 81056596
4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile
CID 43572083
4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile
CID 43614074
4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile
CID 61425333
2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 55060778
4-(2-methylbutan-2-yl)-2-[methyl(3-methylbutyl)amino]cyclohexane-1-carbonitrile
CID 63513627
4-tert-butyl-2-ethoxycyclohexane-1-carbonitrile
CID 43292132

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile (CID 43291990) is 2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile is CCC(C)N(C)C1CC(C(C)(C)C)CCC1C#N.
What is the InChIKey of 2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile?
The InChIKey is BIVGWXFVUJGPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-7-12(2)18(6)15-10-14(16(3,4)5)9-8-13(15)11-17/h12-15H,7-10H2,1-6H3.
What are the key properties of 2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile?
2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile has a molecular weight of 250.43 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43291990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).