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

C9H20N2O — CID 116934979

IUPACN'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCCNCC(N)C1CCOCC1
InChIInChI=1S/C9H20N2O/c1-2-11-7-9(10)8-3-5-12-6-4-8/h8-9,11H,2-7,10H2,1H3
InChIKeyQNSSLEZANRUORK-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.35
Rot. Bonds4

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

N'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 116934979) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID116934979
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCCNCC(N)C1CCOCC1
InChIInChI=1S/C9H20N2O/c1-2-11-7-9(10)8-3-5-12-6-4-8/h8-9,11H,2-7,10H2,1H3
InChIKeyQNSSLEZANRUORK-UHFFFAOYSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 117238528
3-methyl-1-(oxan-4-yl)butan-1-amine
CID 63935057
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
1-(oxan-4-yl)propane-1,3-diamine
CID 116932858
4-ethoxy-1-(oxan-4-yl)butan-1-amine
CID 105147258
2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine
CID 65136008
1-(oxan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65131354
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine
CID 105147172
3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
CID 63935479

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine (CID 116934979) is N'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine is CCNCC(N)C1CCOCC1.
What is the InChIKey of N'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is QNSSLEZANRUORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-11-7-9(10)8-3-5-12-6-4-8/h8-9,11H,2-7,10H2,1H3.
What are the key properties of N'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine?
N'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 116934979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).