1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine

C16H30N2O2 — CID 4886482

IUPAC1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(/C=N/CC2CCCO2)CCOC(C)(C)C1
InChIInChI=1S/C16H30N2O2/c1-15(2)11-16(7-9-20-15,13-18(3)4)12-17-10-14-6-5-8-19-14/h12,14H,5-11,13H2,1-4H3/b17-12+
InChIKeyVPSUMSOXBXSYEH-SFQUDFHCSA-N
MW282.43 g/mol
LogP2.37
Rot. Bonds5

About 1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine

1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine (PubChem CID 4886482) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine
PubChem CID4886482
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(/C=N/CC2CCCO2)CCOC(C)(C)C1
InChIInChI=1S/C16H30N2O2/c1-15(2)11-16(7-9-20-15,13-18(3)4)12-17-10-14-6-5-8-19-14/h12,14H,5-11,13H2,1-4H3/b17-12+
InChIKeyVPSUMSOXBXSYEH-SFQUDFHCSA-N
XLogP2.37
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopropan-1-amine
CID 65458658
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 61435770
3-(aziridin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-imine
CID 537714
3-cyano-1,1-dimethyl-2-(oxolan-2-ylmethyl)guanidine
CID 121235172
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 7643370
1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 61436218
[1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methanol
CID 62265462
(2R)-2-ethyloxolane
CID 641529
[(2R)-oxolan-2-yl]methanamine
CID 2734124
N,4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 63122472

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine (CID 4886482) is 1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine is CN(C)CC1(/C=N/CC2CCCO2)CCOC(C)(C)C1.
What is the InChIKey of 1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine?
The InChIKey is VPSUMSOXBXSYEH-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(2)11-16(7-9-20-15,13-18(3)4)12-17-10-14-6-5-8-19-14/h12,14H,5-11,13H2,1-4H3/b17-12+.
What are the key properties of 1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine?
1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine has a molecular weight of 282.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-4-(oxolan-2-ylmethyliminomethyl)oxan-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 4886482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).