1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile

C15H27N3 — CID 79625593

IUPAC1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(N2CCCC2C(C)C)C1
InChIInChI=1S/C15H27N3/c1-12(2)14-7-5-9-18(14)13-6-4-8-15(10-13,11-16)17-3/h12-14,17H,4-10H2,1-3H3
InChIKeyLCOYVYXTBVFLSE-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.53
Rot. Bonds3

About 1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile

1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 79625593) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
PubChem CID79625593
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(N2CCCC2C(C)C)C1
InChIInChI=1S/C15H27N3/c1-12(2)14-7-5-9-18(14)13-6-4-8-15(10-13,11-16)17-3/h12-14,17H,4-10H2,1-3H3
InChIKeyLCOYVYXTBVFLSE-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 79625823
3-(2-cyclopentylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625200
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 102727930
1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625510
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625138
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625800
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639170
1-cyclopentyl-2-propan-2-ylpyrrolidine
CID 91035341
3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639998
3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 102966154
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 102727945
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639789

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile (CID 79625593) is 1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile is CNC1(C#N)CCCC(N2CCCC2C(C)C)C1.
What is the InChIKey of 1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is LCOYVYXTBVFLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)14-7-5-9-18(14)13-6-4-8-15(10-13,11-16)17-3/h12-14,17H,4-10H2,1-3H3.
What are the key properties of 1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile?
1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 249.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).