2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine

C9H20N2O2 — CID 102849728

IUPAC2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine
SMILESCNCC(C)NCC1OCCCO1
InChIInChI=1S/C9H20N2O2/c1-8(6-10-2)11-7-9-12-4-3-5-13-9/h8-11H,3-7H2,1-2H3
InChIKeyIPOQQDPYASRDRX-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.05
Rot. Bonds5

About 2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine

2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine (PubChem CID 102849728) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine
PubChem CID102849728
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine
SMILESCNCC(C)NCC1OCCCO1
InChIInChI=1S/C9H20N2O2/c1-8(6-10-2)11-7-9-12-4-3-5-13-9/h8-11H,3-7H2,1-2H3
InChIKeyIPOQQDPYASRDRX-UHFFFAOYSA-N
XLogP-0.05
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine (CID 102849728) is 2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine is CNCC(C)NCC1OCCCO1.
What is the InChIKey of 2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is IPOQQDPYASRDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(6-10-2)11-7-9-12-4-3-5-13-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine?
2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 188.27 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 102849728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).