N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine

C9H20N2O — CID 63727277

IUPACN'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
SMILESCN(CCN)CC1CCCOC1
InChIInChI=1S/C9H20N2O/c1-11(5-4-10)7-9-3-2-6-12-8-9/h9H,2-8,10H2,1H3
InChIKeyCRADUACUUSULKX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.30
Rot. Bonds4

About N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine

N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 63727277) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
PubChem CID63727277
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
SMILESCN(CCN)CC1CCCOC1
InChIInChI=1S/C9H20N2O/c1-11(5-4-10)7-9-3-2-6-12-8-9/h9H,2-8,10H2,1H3
InChIKeyCRADUACUUSULKX-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.30
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-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine (CID 63727277) is N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine is CN(CCN)CC1CCCOC1.
What is the InChIKey of N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is CRADUACUUSULKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11(5-4-10)7-9-3-2-6-12-8-9/h9H,2-8,10H2,1H3.
What are the key properties of N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 63727277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).