N-methyl-N-[(Z)-propylideneamino]oxan-3-amine

C9H18N2O — CID 126558870

IUPACN-methyl-N-[(Z)-propylideneamino]oxan-3-amine
SMILESCC/C=N\N(C)C1CCCOC1
InChIInChI=1S/C9H18N2O/c1-3-6-10-11(2)9-5-4-7-12-8-9/h6,9H,3-5,7-8H2,1-2H3/b10-6-
InChIKeyGMNMLNBBYVYFAN-POHAHGRESA-N
MW170.26 g/mol
LogP1.49
Rot. Bonds3

About N-methyl-N-[(Z)-propylideneamino]oxan-3-amine

N-methyl-N-[(Z)-propylideneamino]oxan-3-amine (PubChem CID 126558870) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-methyl-N-[(Z)-propylideneamino]oxan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-propylideneamino]oxan-3-amine
PubChem CID126558870
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-methyl-N-[(Z)-propylideneamino]oxan-3-amine
SMILESCC/C=N\N(C)C1CCCOC1
InChIInChI=1S/C9H18N2O/c1-3-6-10-11(2)9-5-4-7-12-8-9/h6,9H,3-5,7-8H2,1-2H3/b10-6-
InChIKeyGMNMLNBBYVYFAN-POHAHGRESA-N
XLogP1.49
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
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

2-[methyl(oxan-3-yl)amino]propan-1-ol
CID 103857883
N-[(E)-but-2-enyl]-N-propyloxan-3-amine
CID 143294392
3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid
CID 110838614
2-[methyl(oxan-3-yl)amino]ethanethioamide
CID 107134690
5-[methyl(oxan-3-yl)amino]pentan-1-ol
CID 107204072
3-[ethyl(oxan-3-yl)amino]propanoic acid
CID 65062378
2,2-difluoro-N'-methyl-N'-(oxan-3-yl)propane-1,3-diamine
CID 165462577
4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol
CID 104985620
3-[ethyl(oxan-3-yl)amino]propanethioamide
CID 107134685
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine
CID 106603663
3-[methyl(oxan-3-yl)amino]propanimidamide
CID 107134910

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-propylideneamino]oxan-3-amine?
The IUPAC name of N-methyl-N-[(Z)-propylideneamino]oxan-3-amine (CID 126558870) is N-methyl-N-[(Z)-propylideneamino]oxan-3-amine.
What is the SMILES notation for N-methyl-N-[(Z)-propylideneamino]oxan-3-amine?
The canonical SMILES for N-methyl-N-[(Z)-propylideneamino]oxan-3-amine is CC/C=N\N(C)C1CCCOC1.
What is the InChIKey of N-methyl-N-[(Z)-propylideneamino]oxan-3-amine?
The InChIKey is GMNMLNBBYVYFAN-POHAHGRESA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-6-10-11(2)9-5-4-7-12-8-9/h6,9H,3-5,7-8H2,1-2H3/b10-6-.
What are the key properties of N-methyl-N-[(Z)-propylideneamino]oxan-3-amine?
N-methyl-N-[(Z)-propylideneamino]oxan-3-amine has a molecular weight of 170.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-propylideneamino]oxan-3-amine is sourced from PubChem (CID 126558870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).