2-methyl-N-(oxan-4-ylideneamino)propan-2-amine

C9H18N2O — CID 130725791

IUPAC2-methyl-N-(oxan-4-ylideneamino)propan-2-amine
SMILESCC(C)(C)NN=C1CCOCC1
InChIInChI=1S/C9H18N2O/c1-9(2,3)11-10-8-4-6-12-7-5-8/h11H,4-7H2,1-3H3
InChIKeyRWYVVVYNOXSBAN-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.54
Rot. Bonds1

About 2-methyl-N-(oxan-4-ylideneamino)propan-2-amine

2-methyl-N-(oxan-4-ylideneamino)propan-2-amine (PubChem CID 130725791) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methyl-N-(oxan-4-ylideneamino)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(oxan-4-ylideneamino)propan-2-amine
PubChem CID130725791
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methyl-N-(oxan-4-ylideneamino)propan-2-amine
SMILESCC(C)(C)NN=C1CCOCC1
InChIInChI=1S/C9H18N2O/c1-9(2,3)11-10-8-4-6-12-7-5-8/h11H,4-7H2,1-3H3
InChIKeyRWYVVVYNOXSBAN-UHFFFAOYSA-N
XLogP1.54
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]oxan-4-imine
CID 130920548
3-[2-(oxan-4-ylidene)hydrazinyl]propanenitrile
CID 67235792
(4Z)-4-[(4-methylphenyl)sulfanylhydrazinylidene]oxepane
CID 177183086
N-ethoxyoxan-4-imine
CID 90826046
N-(cyclobutylideneamino)methanamine
CID 123692685
[(E)-oxolan-3-ylideneamino]carbamic acid
CID 87368691
(oxolan-3-ylideneamino)urea
CID 77013743
(oxolan-3-ylideneamino)thiourea
CID 77060273
3-methoxy-2-methyl-N-(oxan-4-ylideneamino)benzamide
CID 59016635
2-methyl-N-(oxolan-3-ylidene)propanamide
CID 171523150
1,4-dioxane;1,1,1-trichloroethane
CID 159962083
N-tert-butylmorpholin-4-amine
CID 20626719

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-4-ylideneamino)propan-2-amine?
The IUPAC name of 2-methyl-N-(oxan-4-ylideneamino)propan-2-amine (CID 130725791) is 2-methyl-N-(oxan-4-ylideneamino)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(oxan-4-ylideneamino)propan-2-amine?
The canonical SMILES for 2-methyl-N-(oxan-4-ylideneamino)propan-2-amine is CC(C)(C)NN=C1CCOCC1.
What is the InChIKey of 2-methyl-N-(oxan-4-ylideneamino)propan-2-amine?
The InChIKey is RWYVVVYNOXSBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)11-10-8-4-6-12-7-5-8/h11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-(oxan-4-ylideneamino)propan-2-amine?
2-methyl-N-(oxan-4-ylideneamino)propan-2-amine has a molecular weight of 170.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-4-ylideneamino)propan-2-amine is sourced from PubChem (CID 130725791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).