4-methyl-1-(methylamino)cycloheptane-1-carbonitrile

C10H18N2 — CID 65085150

IUPAC4-methyl-1-(methylamino)cycloheptane-1-carbonitrile
SMILESCNC1(C#N)CCCC(C)CC1
InChIInChI=1S/C10H18N2/c1-9-4-3-6-10(8-11,12-2)7-5-9/h9,12H,3-7H2,1-2H3
InChIKeyQCMFQZILQTWIDR-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds1

About 4-methyl-1-(methylamino)cycloheptane-1-carbonitrile

4-methyl-1-(methylamino)cycloheptane-1-carbonitrile (PubChem CID 65085150) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-methyl-1-(methylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-(methylamino)cycloheptane-1-carbonitrile
PubChem CID65085150
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-methyl-1-(methylamino)cycloheptane-1-carbonitrile
SMILESCNC1(C#N)CCCC(C)CC1
InChIInChI=1S/C10H18N2/c1-9-4-3-6-10(8-11,12-2)7-5-9/h9,12H,3-7H2,1-2H3
InChIKeyQCMFQZILQTWIDR-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze 4-methyl-1-(methylamino)cycloheptane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(methylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 4-methyl-1-(methylamino)cycloheptane-1-carbonitrile (CID 65085150) is 4-methyl-1-(methylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 4-methyl-1-(methylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 4-methyl-1-(methylamino)cycloheptane-1-carbonitrile is CNC1(C#N)CCCC(C)CC1.
What is the InChIKey of 4-methyl-1-(methylamino)cycloheptane-1-carbonitrile?
The InChIKey is QCMFQZILQTWIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9-4-3-6-10(8-11,12-2)7-5-9/h9,12H,3-7H2,1-2H3.
What are the key properties of 4-methyl-1-(methylamino)cycloheptane-1-carbonitrile?
4-methyl-1-(methylamino)cycloheptane-1-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(methylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 65085150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).