N,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine

C16H34N2O — CID 55227409

IUPACN,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)CC1CCOCC1
InChIInChI=1S/C16H34N2O/c1-14(2)10-17-12-16(3,4)13-18(5)11-15-6-8-19-9-7-15/h14-15,17H,6-13H2,1-5H3
InChIKeyNCXYFBUDSCFMRH-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.62
Rot. Bonds8

About N,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine

N,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine (PubChem CID 55227409) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine
PubChem CID55227409
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)CC1CCOCC1
InChIInChI=1S/C16H34N2O/c1-14(2)10-17-12-16(3,4)13-18(5)11-15-6-8-19-9-7-15/h14-15,17H,6-13H2,1-5H3
InChIKeyNCXYFBUDSCFMRH-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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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine (CID 55227409) is N,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine is CC(C)CNCC(C)(C)CN(C)CC1CCOCC1.
What is the InChIKey of N,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine?
The InChIKey is NCXYFBUDSCFMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)10-17-12-16(3,4)13-18(5)11-15-6-8-19-9-7-15/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine?
N,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine 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 N,2,2-trimethyl-N'-(2-methylpropyl)-N-(oxan-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 55227409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).