3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine

C15H32N2O — CID 107869710

IUPAC3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
SMILESCC(C)CCN(CCC(C)C)C1COCCC1N
InChIInChI=1S/C15H32N2O/c1-12(2)5-8-17(9-6-13(3)4)15-11-18-10-7-14(15)16/h12-15H,5-11,16H2,1-4H3
InChIKeyZWEOAMJWQMMICE-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.50
Rot. Bonds7

About 3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine

3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine (PubChem CID 107869710) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
PubChem CID107869710
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
SMILESCC(C)CCN(CCC(C)C)C1COCCC1N
InChIInChI=1S/C15H32N2O/c1-12(2)5-8-17(9-6-13(3)4)15-11-18-10-7-14(15)16/h12-15H,5-11,16H2,1-4H3
InChIKeyZWEOAMJWQMMICE-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine
CID 79477724
3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine
CID 61436867
3-N-butyl-3-N-ethyloxane-3,4-diamine
CID 43608807
2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 107869613
3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine
CID 63694328
3-N-ethyl-3-N-methyloxane-3,4-diamine
CID 43608817
3-N-(1-cyclopropylethyl)-3-N-methyloxane-3,4-diamine
CID 43608841
3-N-cyclopropyl-3-N-propyloxane-3,4-diamine
CID 43608825
4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol
CID 103060860
2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752726
N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 107869656
3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine
CID 103060612

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine?
The IUPAC name of 3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine (CID 107869710) is 3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine.
What is the SMILES notation for 3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine?
The canonical SMILES for 3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine is CC(C)CCN(CCC(C)C)C1COCCC1N.
What is the InChIKey of 3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine?
The InChIKey is ZWEOAMJWQMMICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(2)5-8-17(9-6-13(3)4)15-11-18-10-7-14(15)16/h12-15H,5-11,16H2,1-4H3.
What are the key properties of 3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine?
3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine is sourced from PubChem (CID 107869710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).