3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile

C12H20N2 — CID 130993291

IUPAC3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile
SMILESC[C@@H](NC1CCC(C#N)C1)C1CCC1
InChIInChI=1S/C12H20N2/c1-9(11-3-2-4-11)14-12-6-5-10(7-12)8-13/h9-12,14H,2-7H2,1H3/t9-,10?,12?/m1/s1
InChIKeyUAKQXDAYDYBPOU-GRZMOONWSA-N
MW192.31 g/mol
LogP2.46
Rot. Bonds3

About 3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile

3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile (PubChem CID 130993291) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile
PubChem CID130993291
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile
SMILESC[C@@H](NC1CCC(C#N)C1)C1CCC1
InChIInChI=1S/C12H20N2/c1-9(11-3-2-4-11)14-12-6-5-10(7-12)8-13/h9-12,14H,2-7H2,1H3/t9-,10?,12?/m1/s1
InChIKeyUAKQXDAYDYBPOU-GRZMOONWSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methylamino)cyclopentane-1-carbonitrile
CID 62742749
1-Ethylamino-cyclopentanecarbonitrile
CID 21678969
3-[(1-Fluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile
CID 130658413
3-[(3,3-Difluorocyclobutyl)amino]cyclopentane-1-carbonitrile
CID 130736441
N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine
CID 130747190
3-(1-Fluoropropan-2-ylamino)cyclopentane-1-carbonitrile
CID 130804727
3-(2,2-Difluoropropylamino)cyclopentane-1-carbonitrile
CID 131019754
3-[[(1S,2R)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile
CID 131020015
3-[[(1R,2S)-2-fluorocyclopentyl]amino]cyclopentane-1-carbonitrile
CID 131186231
3-[(3-Fluorocyclopentyl)amino]cyclopentane-1-carbonitrile
CID 131208933
3-[(3,3-Difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile
CID 167923176
2-Cyclopentyl-2-(propan-2-ylamino)acetonitrile
CID 17932419

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile (CID 130993291) is 3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile is C[C@@H](NC1CCC(C#N)C1)C1CCC1.
What is the InChIKey of 3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is UAKQXDAYDYBPOU-GRZMOONWSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(11-3-2-4-11)14-12-6-5-10(7-12)8-13/h9-12,14H,2-7H2,1H3/t9-,10?,12?/m1/s1.
What are the key properties of 3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile?
3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 192.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 130993291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).