N'-(oxan-4-yl)ethane-1,2-diamine

C7H16N2O — CID 60889113

IUPACN'-(oxan-4-yl)ethane-1,2-diamine
SMILESNCCNC1CCOCC1
InChIInChI=1S/C7H16N2O/c8-3-4-9-7-1-5-10-6-2-7/h7,9H,1-6,8H2
InChIKeyBCZUVRVTGSFKOW-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.29
Rot. Bonds3

About N'-(oxan-4-yl)ethane-1,2-diamine

N'-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 60889113) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N'-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(oxan-4-yl)ethane-1,2-diamine
PubChem CID60889113
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN'-(oxan-4-yl)ethane-1,2-diamine
SMILESNCCNC1CCOCC1
InChIInChI=1S/C7H16N2O/c8-3-4-9-7-1-5-10-6-2-7/h7,9H,1-6,8H2
InChIKeyBCZUVRVTGSFKOW-UHFFFAOYSA-N
XLogP-0.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(oxan-4-yl)ethane-1,2-diamine (CID 60889113) is N'-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(oxan-4-yl)ethane-1,2-diamine is NCCNC1CCOCC1.
What is the InChIKey of N'-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is BCZUVRVTGSFKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c8-3-4-9-7-1-5-10-6-2-7/h7,9H,1-6,8H2.
What are the key properties of N'-(oxan-4-yl)ethane-1,2-diamine?
N'-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 144.22 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 60889113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).