N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine

C8H18N2O — CID 70458104

IUPACN'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN)C1CCOC1
InChIInChI=1S/C8H18N2O/c1-7(10-4-3-9)8-2-5-11-6-8/h7-8,10H,2-6,9H2,1H3
InChIKeyIHEOKKOCNNHJJW-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.04
Rot. Bonds4

About N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine

N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine (PubChem CID 70458104) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine
PubChem CID70458104
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN)C1CCOC1
InChIInChI=1S/C8H18N2O/c1-7(10-4-3-9)8-2-5-11-6-8/h7-8,10H,2-6,9H2,1H3
InChIKeyIHEOKKOCNNHJJW-UHFFFAOYSA-N
XLogP-0.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine (CID 70458104) is N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine is CC(NCCN)C1CCOC1.
What is the InChIKey of N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine?
The InChIKey is IHEOKKOCNNHJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(10-4-3-9)8-2-5-11-6-8/h7-8,10H,2-6,9H2,1H3.
What are the key properties of N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine?
N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine has a molecular weight of 158.24 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 70458104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).