2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine

C12H26N2O — CID 79814490

IUPAC2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine
SMILESCCC(N)(CC)CNCC1CCCCO1
InChIInChI=1S/C12H26N2O/c1-3-12(13,4-2)10-14-9-11-7-5-6-8-15-11/h11,14H,3-10,13H2,1-2H3
InChIKeyXWJKLVVPFLBAOC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.66
Rot. Bonds6

About 2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine

2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine (PubChem CID 79814490) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine
PubChem CID79814490
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine
SMILESCCC(N)(CC)CNCC1CCCCO1
InChIInChI=1S/C12H26N2O/c1-3-12(13,4-2)10-14-9-11-7-5-6-8-15-11/h11,14H,3-10,13H2,1-2H3
InChIKeyXWJKLVVPFLBAOC-UHFFFAOYSA-N
XLogP1.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(oxan-2-yl)acetamide
CID 81483834
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
CID 89411151
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
2-methyl-N-(oxan-2-ylmethyl)butan-2-amine
CID 43421983
N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119642821
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
N-(2-methylbutan-2-yl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014424
N-(oxan-2-ylmethyl)but-2-yn-1-amine
CID 62311939
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
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CID 65166782

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine (CID 79814490) is 2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine is CCC(N)(CC)CNCC1CCCCO1.
What is the InChIKey of 2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine?
The InChIKey is XWJKLVVPFLBAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-12(13,4-2)10-14-9-11-7-5-6-8-15-11/h11,14H,3-10,13H2,1-2H3.
What are the key properties of 2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine?
2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-(oxan-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 79814490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).