2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine

C11H24N2O — CID 115251525

IUPAC2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
SMILESCCC(CN)CNCC1CCOCC1
InChIInChI=1S/C11H24N2O/c1-2-10(7-12)8-13-9-11-3-5-14-6-4-11/h10-11,13H,2-9,12H2,1H3
InChIKeyGVDKTMPUOHJKKY-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.99
Rot. Bonds6

About 2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine

2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine (PubChem CID 115251525) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
PubChem CID115251525
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
SMILESCCC(CN)CNCC1CCOCC1
InChIInChI=1S/C11H24N2O/c1-2-10(7-12)8-13-9-11-3-5-14-6-4-11/h10-11,13H,2-9,12H2,1H3
InChIKeyGVDKTMPUOHJKKY-UHFFFAOYSA-N
XLogP0.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
(2S)-3-methyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 68721418
N-(cyclopentylmethyl)-2-ethylbutan-1-amine
CID 43317342
N'-(oxan-4-ylmethyl)methanediamine
CID 115225805
1-(oxan-4-ylmethylamino)pentan-2-ol
CID 115685627
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63930500
3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
CID 43208014
2-(oxan-4-ylmethyl)butan-1-ol
CID 66059203
2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 79548553
N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 115887265
N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 55066116

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine (CID 115251525) is 2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine is CCC(CN)CNCC1CCOCC1.
What is the InChIKey of 2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine?
The InChIKey is GVDKTMPUOHJKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-10(7-12)8-13-9-11-3-5-14-6-4-11/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine?
2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 115251525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).