3-N-ethyl-3-N-methyloxane-3,4-diamine

C8H18N2O — CID 43608817

IUPAC3-N-ethyl-3-N-methyloxane-3,4-diamine
SMILESCCN(C)C1COCCC1N
InChIInChI=1S/C8H18N2O/c1-3-10(2)8-6-11-5-4-7(8)9/h7-8H,3-6,9H2,1-2H3
InChIKeyCYJAGNVPKYCXAI-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.05
Rot. Bonds2

About 3-N-ethyl-3-N-methyloxane-3,4-diamine

3-N-ethyl-3-N-methyloxane-3,4-diamine (PubChem CID 43608817) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-N-ethyl-3-N-methyloxane-3,4-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-methyloxane-3,4-diamine
PubChem CID43608817
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-N-ethyl-3-N-methyloxane-3,4-diamine
SMILESCCN(C)C1COCCC1N
InChIInChI=1S/C8H18N2O/c1-3-10(2)8-6-11-5-4-7(8)9/h7-8H,3-6,9H2,1-2H3
InChIKeyCYJAGNVPKYCXAI-UHFFFAOYSA-N
XLogP0.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine
CID 63694328
3-N-butyl-3-N-ethyloxane-3,4-diamine
CID 43608807
3-(diethylaminomethyl)oxan-4-amine
CID 83619174
3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine
CID 61436867
3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine
CID 79477724
3-N-cyclopropyl-3-N-propyloxane-3,4-diamine
CID 43608825
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336
3-N-(1-cyclopropylethyl)-3-N-methyloxane-3,4-diamine
CID 43608841
3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
CID 107869710
N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 103061096
3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine
CID 55004363
2-N,4-diethyl-2-N-methylcyclohexane-1,2-diamine
CID 43263387

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-methyloxane-3,4-diamine?
The IUPAC name of 3-N-ethyl-3-N-methyloxane-3,4-diamine (CID 43608817) is 3-N-ethyl-3-N-methyloxane-3,4-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-methyloxane-3,4-diamine?
The canonical SMILES for 3-N-ethyl-3-N-methyloxane-3,4-diamine is CCN(C)C1COCCC1N.
What is the InChIKey of 3-N-ethyl-3-N-methyloxane-3,4-diamine?
The InChIKey is CYJAGNVPKYCXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-10(2)8-6-11-5-4-7(8)9/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 3-N-ethyl-3-N-methyloxane-3,4-diamine?
3-N-ethyl-3-N-methyloxane-3,4-diamine has a molecular weight of 158.24 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-methyloxane-3,4-diamine is sourced from PubChem (CID 43608817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).