3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile

C11H18N2O — CID 130617329

IUPAC3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCC(NC2(CO)CCC2)C1
InChIInChI=1S/C11H18N2O/c12-7-9-2-3-10(6-9)13-11(8-14)4-1-5-11/h9-10,13-14H,1-6,8H2
InChIKeyVQYFYUGPWZXNHQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.18
Rot. Bonds3

About 3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile

3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile (PubChem CID 130617329) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
PubChem CID130617329
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCC(NC2(CO)CCC2)C1
InChIInChI=1S/C11H18N2O/c12-7-9-2-3-10(6-9)13-11(8-14)4-1-5-11/h9-10,13-14H,1-6,8H2
InChIKeyVQYFYUGPWZXNHQ-UHFFFAOYSA-N
XLogP1.18
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopentylamino)cyclododecyl]methanol
CID 63428229
[1-(piperidin-4-ylamino)cyclohexyl]methanol
CID 62521858
3-[[(1R)-1-cyclobutylethyl]amino]cyclopentane-1-carbonitrile
CID 130993291
N-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-amine
CID 114544710
[4-methyl-1-[(4-methylcyclohexyl)amino]cyclohexyl]methanol
CID 62526376
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentan-1-ol
CID 102734161
[1-(cyclopropylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450341
[1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol
CID 64753014
3-(methoxyamino)cyclopentane-1-carbonitrile
CID 126997428
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclohexane-1-carbonitrile
CID 62743346
[1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol
CID 99825740
[1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]cyclopentyl]methanol
CID 110011599

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile (CID 130617329) is 3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile is N#CC1CCC(NC2(CO)CCC2)C1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is VQYFYUGPWZXNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-7-9-2-3-10(6-9)13-11(8-14)4-1-5-11/h9-10,13-14H,1-6,8H2.
What are the key properties of 3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 130617329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).