3-methyl-1-(propylamino)cyclopentane-1-carbonitrile

C10H18N2 — CID 64500336

IUPAC3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(C)C1
InChIInChI=1S/C10H18N2/c1-3-6-12-10(8-11)5-4-9(2)7-10/h9,12H,3-7H2,1-2H3
InChIKeyXLHYDPPWIADLDK-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds3

About 3-methyl-1-(propylamino)cyclopentane-1-carbonitrile

3-methyl-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 64500336) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-methyl-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID64500336
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(C)C1
InChIInChI=1S/C10H18N2/c1-3-6-12-10(8-11)5-4-9(2)7-10/h9,12H,3-7H2,1-2H3
InChIKeyXLHYDPPWIADLDK-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-methyl-1-(propylamino)cyclopentane-1-carbonitrile (CID 64500336) is 3-methyl-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-methyl-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-methyl-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCC(C)C1.
What is the InChIKey of 3-methyl-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is XLHYDPPWIADLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-6-12-10(8-11)5-4-9(2)7-10/h9,12H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-(propylamino)cyclopentane-1-carbonitrile?
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 166.27 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 3-methyl-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 64500336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).