3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile

C12H21N3 — CID 79625408

IUPAC3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(N(C)C2CC2)C1
InChIInChI=1S/C12H21N3/c1-14-12(9-13)7-3-4-11(8-12)15(2)10-5-6-10/h10-11,14H,3-8H2,1-2H3
InChIKeyGMMVCQZXMZLNLJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.50
Rot. Bonds3

About 3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile

3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile (PubChem CID 79625408) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
PubChem CID79625408
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(N(C)C2CC2)C1
InChIInChI=1S/C12H21N3/c1-14-12(9-13)7-3-4-11(8-12)15(2)10-5-6-10/h10-11,14H,3-8H2,1-2H3
InChIKeyGMMVCQZXMZLNLJ-UHFFFAOYSA-N
XLogP1.50
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile (CID 79625408) is 3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile is CNC1(C#N)CCCC(N(C)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile?
The InChIKey is GMMVCQZXMZLNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-14-12(9-13)7-3-4-11(8-12)15(2)10-5-6-10/h10-11,14H,3-8H2,1-2H3.
What are the key properties of 3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile?
3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).