N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine

C13H28N2O — CID 62561007

IUPACN'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)NCCN(C)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-4-5-12(2)14-8-9-15(3)13-6-10-16-11-7-13/h12-14H,4-11H2,1-3H3
InChIKeyUNWCYZYVAUTTNT-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

About N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine

N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine (PubChem CID 62561007) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine
PubChem CID62561007
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)NCCN(C)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-4-5-12(2)14-8-9-15(3)13-6-10-16-11-7-13/h12-14H,4-11H2,1-3H3
InChIKeyUNWCYZYVAUTTNT-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine (CID 62561007) is N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine is CCCC(C)NCCN(C)C1CCOCC1.
What is the InChIKey of N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine?
The InChIKey is UNWCYZYVAUTTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-5-12(2)14-8-9-15(3)13-6-10-16-11-7-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine?
N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62561007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).