1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile

C11H18N2 — CID 116958094

IUPAC1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile
SMILESCNC(C1CCCC1)C1(C#N)CC1
InChIInChI=1S/C11H18N2/c1-13-10(9-4-2-3-5-9)11(8-12)6-7-11/h9-10,13H,2-7H2,1H3
InChIKeyCIPKCRMIJYOEQW-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.07
Rot. Bonds3

About 1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile

1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile (PubChem CID 116958094) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile
PubChem CID116958094
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile
SMILESCNC(C1CCCC1)C1(C#N)CC1
InChIInChI=1S/C11H18N2/c1-13-10(9-4-2-3-5-9)11(8-12)6-7-11/h9-10,13H,2-7H2,1H3
InChIKeyCIPKCRMIJYOEQW-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile (CID 116958094) is 1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile is CNC(C1CCCC1)C1(C#N)CC1.
What is the InChIKey of 1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile?
The InChIKey is CIPKCRMIJYOEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-13-10(9-4-2-3-5-9)11(8-12)6-7-11/h9-10,13H,2-7H2,1H3.
What are the key properties of 1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile?
1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116958094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).