1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile

C10H16N2O — CID 164650451

IUPAC1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile
SMILESCN(C1CCOCC1)C1(C#N)CC1
InChIInChI=1S/C10H16N2O/c1-12(10(8-11)4-5-10)9-2-6-13-7-3-9/h9H,2-7H2,1H3
InChIKeyMNQUTUVJBRCSRG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.15
Rot. Bonds2

About 1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile

1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile (PubChem CID 164650451) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile
PubChem CID164650451
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile
SMILESCN(C1CCOCC1)C1(C#N)CC1
InChIInChI=1S/C10H16N2O/c1-12(10(8-11)4-5-10)9-2-6-13-7-3-9/h9H,2-7H2,1H3
InChIKeyMNQUTUVJBRCSRG-UHFFFAOYSA-N
XLogP1.15
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[methyl(oxan-4-yl)amino]cyclopropane-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

Related Compounds

1-[[methyl(oxan-4-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242179
1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
CID 117039603
1-cyano-N-methyl-N-(oxan-4-yl)formamide
CID 115172100
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
CID 43610982
3-(dimethylamino)oxolane-3-carbonitrile
CID 10630582
1-cyano-N,3-dimethyl-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80598483
4-(diethylamino)oxane-4-carbonitrile
CID 43802728
1-[cyclobutylmethyl(methyl)amino]cyclopropane-1-carbonitrile
CID 164649621
4-(aminomethyl)-N,3-dimethyl-N-(oxan-4-yl)oxan-4-amine
CID 114240524
N-[1-(aminomethyl)-2-ethylcyclopentyl]-N-methyloxan-4-amine
CID 113483713
3-[methyl(oxepan-4-yl)amino]propanenitrile
CID 130694168
4-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine
CID 115295354

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile (CID 164650451) is 1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile is CN(C1CCOCC1)C1(C#N)CC1.
What is the InChIKey of 1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile?
The InChIKey is MNQUTUVJBRCSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(10(8-11)4-5-10)9-2-6-13-7-3-9/h9H,2-7H2,1H3.
What are the key properties of 1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile?
1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile has a molecular weight of 180.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(oxan-4-yl)amino]cyclopropane-1-carbonitrile is sourced from PubChem (CID 164650451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).