1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile

C11H18N2 — CID 164656544

IUPAC1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile
SMILESN#CC1(CNC2CCC2)CCCC1
InChIInChI=1S/C11H18N2/c12-8-11(6-1-2-7-11)9-13-10-4-3-5-10/h10,13H,1-7,9H2
InChIKeyZSVVMPLVXAGRMK-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.21
Rot. Bonds3

About 1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile

1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile (PubChem CID 164656544) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile
PubChem CID164656544
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile
SMILESN#CC1(CNC2CCC2)CCCC1
InChIInChI=1S/C11H18N2/c12-8-11(6-1-2-7-11)9-13-10-4-3-5-10/h10,13H,1-7,9H2
InChIKeyZSVVMPLVXAGRMK-UHFFFAOYSA-N
XLogP2.21
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile
CID 115245088
1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
CID 115245097
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol
CID 114817712
1-(propylaminomethyl)cyclopentane-1-carbonitrile
CID 166556871
1-(cyclopropylmethyl)cyclohexane-1-carbonitrile
CID 126977193
1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile
CID 164645998
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclohexan-1-ol
CID 114817713
1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377
1-ethylcyclopentane-1-carbonitrile
CID 12859571
1-(cyclobutyloxymethyl)cyclopropane-1-carbonitrile
CID 164645967

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile (CID 164656544) is 1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile is N#CC1(CNC2CCC2)CCCC1.
What is the InChIKey of 1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile?
The InChIKey is ZSVVMPLVXAGRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c12-8-11(6-1-2-7-11)9-13-10-4-3-5-10/h10,13H,1-7,9H2.
What are the key properties of 1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile?
1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 164656544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).