N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine

C14H30N2O — CID 62432918

IUPACN,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine
SMILESCC(C)CNCC(C)CN(C)C1CCOCC1
InChIInChI=1S/C14H30N2O/c1-12(2)9-15-10-13(3)11-16(4)14-5-7-17-8-6-14/h12-15H,5-11H2,1-4H3
InChIKeyKGXLDCJDOCIOFR-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.98
Rot. Bonds7

About N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine

N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine (PubChem CID 62432918) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine
PubChem CID62432918
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine
SMILESCC(C)CNCC(C)CN(C)C1CCOCC1
InChIInChI=1S/C14H30N2O/c1-12(2)9-15-10-13(3)11-16(4)14-5-7-17-8-6-14/h12-15H,5-11H2,1-4H3
InChIKeyKGXLDCJDOCIOFR-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.98
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'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine (CID 62432918) is N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine is CC(C)CNCC(C)CN(C)C1CCOCC1.
What is the InChIKey of N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is KGXLDCJDOCIOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)9-15-10-13(3)11-16(4)14-5-7-17-8-6-14/h12-15H,5-11H2,1-4H3.
What are the key properties of N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine?
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 62432918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).