3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile

C11H20N2 — CID 43151562

IUPAC3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
SMILESCC1CCCC(C#N)(NC(C)C)C1
InChIInChI=1S/C11H20N2/c1-9(2)13-11(8-12)6-4-5-10(3)7-11/h9-10,13H,4-7H2,1-3H3
InChIKeyCGOFAVMZHQVCRF-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.46
Rot. Bonds2

About 3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile

3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile (PubChem CID 43151562) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
PubChem CID43151562
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
SMILESCC1CCCC(C#N)(NC(C)C)C1
InChIInChI=1S/C11H20N2/c1-9(2)13-11(8-12)6-4-5-10(3)7-11/h9-10,13H,4-7H2,1-3H3
InChIKeyCGOFAVMZHQVCRF-UHFFFAOYSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(sulfanylamino)cyclohexane-1-carbonitrile
CID 155238451
3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636871
3-(1-methoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79637079
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639233
1-(3-hydroxypropylamino)-3-methylcyclohexane-1-carbonitrile
CID 62586972
3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 103489745
4-methyl-1-(methylamino)cycloheptane-1-carbonitrile
CID 65085150
1-(propan-2-ylamino)-3-propylsulfanylcyclohexane-1-carbonitrile
CID 79637084
3-[cyclopentyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79624977
3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639311
ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile
CID 162749056
3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625682

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile (CID 43151562) is 3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile is CC1CCCC(C#N)(NC(C)C)C1.
What is the InChIKey of 3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The InChIKey is CGOFAVMZHQVCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)13-11(8-12)6-4-5-10(3)7-11/h9-10,13H,4-7H2,1-3H3.
What are the key properties of 3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile has a molecular weight of 180.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 43151562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).