2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile

C11H20N2 — CID 65044961

IUPAC2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile
SMILESCC(C)CNC1(C#N)CCCC1C
InChIInChI=1S/C11H20N2/c1-9(2)7-13-11(8-12)6-4-5-10(11)3/h9-10,13H,4-7H2,1-3H3
InChIKeyVBBVIXOZMLTRAB-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.31
Rot. Bonds3

About 2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile

2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile (PubChem CID 65044961) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile
PubChem CID65044961
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile
SMILESCC(C)CNC1(C#N)CCCC1C
InChIInChI=1S/C11H20N2/c1-9(2)7-13-11(8-12)6-4-5-10(11)3/h9-10,13H,4-7H2,1-3H3
InChIKeyVBBVIXOZMLTRAB-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile (CID 65044961) is 2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile is CC(C)CNC1(C#N)CCCC1C.
What is the InChIKey of 2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile?
The InChIKey is VBBVIXOZMLTRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)7-13-11(8-12)6-4-5-10(11)3/h9-10,13H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile?
2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile has a molecular weight of 180.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 65044961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).