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

C16H34N2O — CID 55066479

IUPAC2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine
SMILESCNCC1(CN(CC(C)C)CC(C)C)CCOCC1
InChIInChI=1S/C16H34N2O/c1-14(2)10-18(11-15(3)4)13-16(12-17-5)6-8-19-9-7-16/h14-15,17H,6-13H2,1-5H3
InChIKeyUCCCWMXDSGJKNG-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.62
Rot. Bonds8

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

2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine (PubChem CID 55066479) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine
PubChem CID55066479
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine
SMILESCNCC1(CN(CC(C)C)CC(C)C)CCOCC1
InChIInChI=1S/C16H34N2O/c1-14(2)10-18(11-15(3)4)13-16(12-17-5)6-8-19-9-7-16/h14-15,17H,6-13H2,1-5H3
InChIKeyUCCCWMXDSGJKNG-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 138987893
CID 138987893
CID 55066332
CID 55066332
CID 55066529
CID 55066529
CID 62390590
CID 62390590
CID 62390964
CID 62390964
CID 62390969
CID 62390969
CID 62390970
CID 62390970
CID 62391149
CID 62391149
CID 62391312
CID 62391312
CID 62391314
CID 62391314
CID 62391317
CID 62391317
CID 62392200
CID 62392200

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine (CID 55066479) is 2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine is CNCC1(CN(CC(C)C)CC(C)C)CCOCC1.
What is the InChIKey of 2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine?
The InChIKey is UCCCWMXDSGJKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)10-18(11-15(3)4)13-16(12-17-5)6-8-19-9-7-16/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine?
2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 55066479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).