2-(2-methylpropylamino)cyclopentane-1-carbonitrile

C10H18N2 — CID 62742196

IUPAC2-(2-methylpropylamino)cyclopentane-1-carbonitrile
SMILESCC(C)CNC1CCCC1C#N
InChIInChI=1S/C10H18N2/c1-8(2)7-12-10-5-3-4-9(10)6-11/h8-10,12H,3-5,7H2,1-2H3
InChIKeyYMBGWUGBFJBYEL-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.92
Rot. Bonds3

About 2-(2-methylpropylamino)cyclopentane-1-carbonitrile

2-(2-methylpropylamino)cyclopentane-1-carbonitrile (PubChem CID 62742196) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(2-methylpropylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-methylpropylamino)cyclopentane-1-carbonitrile
PubChem CID62742196
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(2-methylpropylamino)cyclopentane-1-carbonitrile
SMILESCC(C)CNC1CCCC1C#N
InChIInChI=1S/C10H18N2/c1-8(2)7-12-10-5-3-4-9(10)6-11/h8-10,12H,3-5,7H2,1-2H3
InChIKeyYMBGWUGBFJBYEL-UHFFFAOYSA-N
XLogP1.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
CID 62741297
2-[(3-methyl-2-propan-2-ylbutyl)amino]cycloheptane-1-carbonitrile
CID 102905558
trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580454
cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580452
2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile
CID 114133401
2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile
CID 106285223
2-(7-methyloctylamino)cyclohexane-1-carbonitrile
CID 107814920
2-(2-phenylpropylamino)cycloheptane-1-carbonitrile
CID 104591468
cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile
CID 129368082
2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
CID 62742040
2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile
CID 115903557
2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide
CID 62742043

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-methylpropylamino)cyclopentane-1-carbonitrile (CID 62742196) is 2-(2-methylpropylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-methylpropylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-methylpropylamino)cyclopentane-1-carbonitrile is CC(C)CNC1CCCC1C#N.
What is the InChIKey of 2-(2-methylpropylamino)cyclopentane-1-carbonitrile?
The InChIKey is YMBGWUGBFJBYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)7-12-10-5-3-4-9(10)6-11/h8-10,12H,3-5,7H2,1-2H3.
What are the key properties of 2-(2-methylpropylamino)cyclopentane-1-carbonitrile?
2-(2-methylpropylamino)cyclopentane-1-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62742196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).