3-N-butyl-3-N-ethyloxane-3,4-diamine

C11H24N2O — CID 43608807

IUPAC3-N-butyl-3-N-ethyloxane-3,4-diamine
SMILESCCCCN(CC)C1COCCC1N
InChIInChI=1S/C11H24N2O/c1-3-5-7-13(4-2)11-9-14-8-6-10(11)12/h10-11H,3-9,12H2,1-2H3
InChIKeyLAXJFXXVSYPUDZ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.22
Rot. Bonds5

About 3-N-butyl-3-N-ethyloxane-3,4-diamine

3-N-butyl-3-N-ethyloxane-3,4-diamine (PubChem CID 43608807) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-N-butyl-3-N-ethyloxane-3,4-diamine.

Molecular Properties

Compound Name3-N-butyl-3-N-ethyloxane-3,4-diamine
PubChem CID43608807
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-N-butyl-3-N-ethyloxane-3,4-diamine
SMILESCCCCN(CC)C1COCCC1N
InChIInChI=1S/C11H24N2O/c1-3-5-7-13(4-2)11-9-14-8-6-10(11)12/h10-11H,3-9,12H2,1-2H3
InChIKeyLAXJFXXVSYPUDZ-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-butyl-3-N-ethyloxane-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-ethyl-3-N-methyloxane-3,4-diamine
CID 43608817
3-N-cyclopropyl-3-N-propyloxane-3,4-diamine
CID 43608825
3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
CID 107869710
3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine
CID 63694328
2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
CID 43293554
3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine
CID 55004363
N-butyl-N-methyloxolan-3-amine
CID 154189060
3-(diethylaminomethyl)oxan-4-amine
CID 83619174
2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
CID 43293551
N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 103061096

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-3-N-ethyloxane-3,4-diamine?
The IUPAC name of 3-N-butyl-3-N-ethyloxane-3,4-diamine (CID 43608807) is 3-N-butyl-3-N-ethyloxane-3,4-diamine.
What is the SMILES notation for 3-N-butyl-3-N-ethyloxane-3,4-diamine?
The canonical SMILES for 3-N-butyl-3-N-ethyloxane-3,4-diamine is CCCCN(CC)C1COCCC1N.
What is the InChIKey of 3-N-butyl-3-N-ethyloxane-3,4-diamine?
The InChIKey is LAXJFXXVSYPUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-5-7-13(4-2)11-9-14-8-6-10(11)12/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 3-N-butyl-3-N-ethyloxane-3,4-diamine?
3-N-butyl-3-N-ethyloxane-3,4-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-3-N-ethyloxane-3,4-diamine is sourced from PubChem (CID 43608807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).