3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile

C12H22N2 — CID 66606863

IUPAC3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile
SMILESCC(C)N(C(C)C)C1CCC(C#N)C1
InChIInChI=1S/C12H22N2/c1-9(2)14(10(3)4)12-6-5-11(7-12)8-13/h9-12H,5-7H2,1-4H3
InChIKeyFIGDEJJLLJENQF-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.80
Rot. Bonds3

About 3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile

3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile (PubChem CID 66606863) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile
PubChem CID66606863
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile
SMILESCC(C)N(C(C)C)C1CCC(C#N)C1
InChIInChI=1S/C12H22N2/c1-9(2)14(10(3)4)12-6-5-11(7-12)8-13/h9-12H,5-7H2,1-4H3
InChIKeyFIGDEJJLLJENQF-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Diethylamino)-2-(1-fluorocyclopentyl)acetonitrile
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Cambridge id 5512521
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2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile
CID 61604394
2-[Propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile
CID 61605987
3-[2,2-Difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile
CID 131010592
2-(n-Methyl-2-pyrrolidinyl)proprionitrile
CID 18313708
2-(1,2,4-Trimethylpyrrolidin-3-yl)acetonitrile
CID 18735447
N,N,3-trimethylcyclopentan-1-amine
CID 18738307
2,5-Bis[bis(cyanomethyl)amino]-3-methylhexanedinitrile
CID 19591850
1-(Diethylamino)cyclopentanecarbonitrile
CID 24276761
Cyclopentanecarbonitrile, 3-(dimethylamino)-
CID 45087761

Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile (CID 66606863) is 3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile is CC(C)N(C(C)C)C1CCC(C#N)C1.
What is the InChIKey of 3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile?
The InChIKey is FIGDEJJLLJENQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)14(10(3)4)12-6-5-11(7-12)8-13/h9-12H,5-7H2,1-4H3.
What are the key properties of 3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile?
3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile has a molecular weight of 194.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 66606863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).