N'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine

C8H18N2O2 — CID 62687012

IUPACN'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)CC1CCOCO1
InChIInChI=1S/C8H18N2O2/c1-10(4-3-9)6-8-2-5-11-7-12-8/h8H,2-7,9H2,1H3
InChIKeyKSKOAHCZAXTOQG-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.36
Rot. Bonds4

About N'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine

N'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 62687012) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID62687012
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)CC1CCOCO1
InChIInChI=1S/C8H18N2O2/c1-10(4-3-9)6-8-2-5-11-7-12-8/h8H,2-7,9H2,1H3
InChIKeyKSKOAHCZAXTOQG-UHFFFAOYSA-N
XLogP-0.36
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine (CID 62687012) is N'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine is CN(CCN)CC1CCOCO1.
What is the InChIKey of N'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is KSKOAHCZAXTOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-10(4-3-9)6-8-2-5-11-7-12-8/h8H,2-7,9H2,1H3.
What are the key properties of N'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine?
N'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 174.24 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dioxan-4-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62687012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).