1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile

C12H22N2 — CID 61023996

IUPAC1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile
SMILESCCC(C)NC1(C#N)CCCCC1C
InChIInChI=1S/C12H22N2/c1-4-11(3)14-12(9-13)8-6-5-7-10(12)2/h10-11,14H,4-8H2,1-3H3
InChIKeyQNHQXEWWLSBUSD-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.85
Rot. Bonds3

About 1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile

1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile (PubChem CID 61023996) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile
PubChem CID61023996
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile
SMILESCCC(C)NC1(C#N)CCCCC1C
InChIInChI=1S/C12H22N2/c1-4-11(3)14-12(9-13)8-6-5-7-10(12)2/h10-11,14H,4-8H2,1-3H3
InChIKeyQNHQXEWWLSBUSD-UHFFFAOYSA-N
XLogP2.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile
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4-(butan-2-ylamino)-3-methyloxane-4-carbonitrile
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2-methyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115025
1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
CID 61023499
1-(2-azidoethylamino)-2-methylcyclohexane-1-carbonitrile
CID 66190378
tert-butyl N-[(1S,2R)-1-cyano-2-methylcyclohexyl]carbamate
CID 97416660
2-tert-butyl-1-(ethylamino)cyclohexane-1-carbonitrile
CID 43115118
1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 113305950
2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile
CID 130834446
1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
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2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79565740

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile (CID 61023996) is 1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile is CCC(C)NC1(C#N)CCCCC1C.
What is the InChIKey of 1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile?
The InChIKey is QNHQXEWWLSBUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-11(3)14-12(9-13)8-6-5-7-10(12)2/h10-11,14H,4-8H2,1-3H3.
What are the key properties of 1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile?
1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile has a molecular weight of 194.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 61023996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).