N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine

C12H26N2O — CID 65159083

IUPACN'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
SMILESCCN(CCCN)CCCC1CCCO1
InChIInChI=1S/C12H26N2O/c1-2-14(10-5-8-13)9-3-6-12-7-4-11-15-12/h12H,2-11,13H2,1H3
InChIKeyMDRXAUJLTDNJRO-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.62
Rot. Bonds8

About N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine

N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine (PubChem CID 65159083) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
PubChem CID65159083
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
SMILESCCN(CCCN)CCCC1CCCO1
InChIInChI=1S/C12H26N2O/c1-2-14(10-5-8-13)9-3-6-12-7-4-11-15-12/h12H,2-11,13H2,1H3
InChIKeyMDRXAUJLTDNJRO-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile
CID 65161581
N'-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 43137301
1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
CID 79087658
2-tetradecyloxolane
CID 10683364
N-(3-aminopropyl)-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylpropanamide
CID 61433794
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557
N'-cyclohexyl-N'-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65158410
N'-cyclohexyl-N'-[3-(oxolan-2-yl)propyl]ethane-1,2-diamine
CID 65165454
N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propylamino]ethanimidamide
CID 77057915
3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine
CID 66218560
ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate
CID 65166215
3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide
CID 77057992

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine (CID 65159083) is N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine is CCN(CCCN)CCCC1CCCO1.
What is the InChIKey of N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine?
The InChIKey is MDRXAUJLTDNJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-2-14(10-5-8-13)9-3-6-12-7-4-11-15-12/h12H,2-11,13H2,1H3.
What are the key properties of N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine?
N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine is sourced from PubChem (CID 65159083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).