2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine

C13H28N2O — CID 63727178

IUPAC2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine
SMILESCCNC(C)C(C)N(C)CC1CCCOC1
InChIInChI=1S/C13H28N2O/c1-5-14-11(2)12(3)15(4)9-13-7-6-8-16-10-13/h11-14H,5-10H2,1-4H3
InChIKeyOWHCUJYTNWRFSR-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About 2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine

2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine (PubChem CID 63727178) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine
PubChem CID63727178
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine
SMILESCCNC(C)C(C)N(C)CC1CCCOC1
InChIInChI=1S/C13H28N2O/c1-5-14-11(2)12(3)15(4)9-13-7-6-8-16-10-13/h11-14H,5-10H2,1-4H3
InChIKeyOWHCUJYTNWRFSR-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine
CID 63727332
methyl 3-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713446
3-N-methyl-1-N-(2-methylpropyl)-3-N-(oxan-3-ylmethyl)butane-1,3-diamine
CID 63708130
2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
CID 55227792
2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725583
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
4-[1-(ethylamino)ethyl]-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63712227
3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide
CID 63706863
2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 63705999
4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine
CID 55225870
2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 107505772
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine?
The IUPAC name of 2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine (CID 63727178) is 2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine.
What is the SMILES notation for 2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine?
The canonical SMILES for 2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine is CCNC(C)C(C)N(C)CC1CCCOC1.
What is the InChIKey of 2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine?
The InChIKey is OWHCUJYTNWRFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-14-11(2)12(3)15(4)9-13-7-6-8-16-10-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine?
2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine is sourced from PubChem (CID 63727178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).