4-amino-2-methyloxane-4-carbonitrile

C7H12N2O — CID 21355741

IUPAC4-amino-2-methyloxane-4-carbonitrile
SMILESCC1CC(N)(C#N)CCO1
InChIInChI=1S/C7H12N2O/c1-6-4-7(9,5-8)2-3-10-6/h6H,2-4,9H2,1H3
InChIKeyDOWFQVRQRQFOGU-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.41
Rot. Bonds

About 4-amino-2-methyloxane-4-carbonitrile

4-amino-2-methyloxane-4-carbonitrile (PubChem CID 21355741) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-amino-2-methyloxane-4-carbonitrile.

Molecular Properties

Compound Name4-amino-2-methyloxane-4-carbonitrile
PubChem CID21355741
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-amino-2-methyloxane-4-carbonitrile
SMILESCC1CC(N)(C#N)CCO1
InChIInChI=1S/C7H12N2O/c1-6-4-7(9,5-8)2-3-10-6/h6H,2-4,9H2,1H3
InChIKeyDOWFQVRQRQFOGU-UHFFFAOYSA-N
XLogP0.41
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dimethyloxan-4-amine
CID 22765765
4-Amino-2,6-dimethyloxane-4-carbonitrile
CID 21355740
2-Methyl-4-(methylamino)oxane-4-carbonitrile
CID 64108072
(4S)-2,4-dimethyloxan-4-amine
CID 89036017
(2S,4S)-2,4-dimethyloxan-4-amine
CID 96218215
4-Amino-2,2-dimethyloxane-4-carbonitrile
CID 12219534
4-Aminotetrahydro-2,5-dimethyl-2H-pyran-4-carbonitrile
CID 12405855
2-Amino-5-cyclohexyloxy-2-methylpentanenitrile
CID 61907381
2-Amino-4-cyclohexyloxy-2-methylbutanenitrile
CID 61927237
4-Amino-2-propan-2-yloxane-4-carbonitrile
CID 64107458
4-Amino-2-propyloxane-4-carbonitrile
CID 64110511
4-Amino-2-ethyloxane-4-carbonitrile
CID 64110512

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyloxane-4-carbonitrile?
The IUPAC name of 4-amino-2-methyloxane-4-carbonitrile (CID 21355741) is 4-amino-2-methyloxane-4-carbonitrile.
What is the SMILES notation for 4-amino-2-methyloxane-4-carbonitrile?
The canonical SMILES for 4-amino-2-methyloxane-4-carbonitrile is CC1CC(N)(C#N)CCO1.
What is the InChIKey of 4-amino-2-methyloxane-4-carbonitrile?
The InChIKey is DOWFQVRQRQFOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6-4-7(9,5-8)2-3-10-6/h6H,2-4,9H2,1H3.
What are the key properties of 4-amino-2-methyloxane-4-carbonitrile?
4-amino-2-methyloxane-4-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyloxane-4-carbonitrile is sourced from PubChem (CID 21355741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).