N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine

C13H28N2O — CID 62390422

IUPACN,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
SMILESCNCC1(CN(C)CC(C)C)CCOCC1
InChIInChI=1S/C13H28N2O/c1-12(2)9-15(4)11-13(10-14-3)5-7-16-8-6-13/h12,14H,5-11H2,1-4H3
InChIKeySEOBBVXGLQNXOQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.59
Rot. Bonds6

About N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine

N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine (PubChem CID 62390422) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
PubChem CID62390422
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
SMILESCNCC1(CN(C)CC(C)C)CCOCC1
InChIInChI=1S/C13H28N2O/c1-12(2)9-15(4)11-13(10-14-3)5-7-16-8-6-13/h12,14H,5-11H2,1-4H3
InChIKeySEOBBVXGLQNXOQ-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine (CID 62390422) is N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine is CNCC1(CN(C)CC(C)C)CCOCC1.
What is the InChIKey of N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine?
The InChIKey is SEOBBVXGLQNXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)9-15(4)11-13(10-14-3)5-7-16-8-6-13/h12,14H,5-11H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine?
N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62390422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).