N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine

C17H39N3O — CID 58883059

IUPACN'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine
SMILESCCOCC(C)N(CCN(CC)CC)CCN(CC)CC
InChIInChI=1S/C17H39N3O/c1-7-18(8-2)12-14-20(17(6)16-21-11-5)15-13-19(9-3)10-4/h17H,7-16H2,1-6H3
InChIKeyAVVIWRHUEGXNKD-UHFFFAOYSA-N
MW301.52 g/mol
LogP2.40
Rot. Bonds14

About N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine

N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine (PubChem CID 58883059) has the molecular formula C17H39N3O and a molecular weight of 301.52 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine
PubChem CID58883059
Molecular FormulaC17H39N3O
Molecular Weight301.52 g/mol
Exact Mass301.31
IUPAC NameN'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine
SMILESCCOCC(C)N(CCN(CC)CC)CCN(CC)CC
InChIInChI=1S/C17H39N3O/c1-7-18(8-2)12-14-20(17(6)16-21-11-5)15-13-19(9-3)10-4/h17H,7-16H2,1-6H3
InChIKeyAVVIWRHUEGXNKD-UHFFFAOYSA-N
XLogP2.40
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(2-(dimethylamino)ethoxy)ethyl)-N-isopropylpropan-2-amine
CID 57872308
Triethyl-[2-[2-(triethylazaniumyl)ethoxy]ethyl]azanium
CID 46914
2-Diisopropylaminoethyl ethyl ether
CID 575118
N-propan-2-yl-N-(2-propoxyethyl)propan-2-amine
CID 85776061
Bis(2-diethylaminoethyl)-2-methoxyethylamine
CID 129657689
Ethyl-2-diethylaminoethyl ether
CID 129761283
N'-[2-[2-(dimethylamino)ethoxy]ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 13608868
N-[2-[2-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine
CID 14298548
2-[2-(Diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride
CID 18347181
2-[2-(Diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium
CID 18347182
1-[2-(dimethylamino)propoxy]-N,N-dimethylpropan-2-amine
CID 19362268
1-[2-(diethylamino)propoxy]-N,N-diethylpropan-2-amine
CID 19419888

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine?
The IUPAC name of N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine (CID 58883059) is N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine is CCOCC(C)N(CCN(CC)CC)CCN(CC)CC.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine?
The InChIKey is AVVIWRHUEGXNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3O/c1-7-18(8-2)12-14-20(17(6)16-21-11-5)15-13-19(9-3)10-4/h17H,7-16H2,1-6H3.
What are the key properties of N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine?
N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine has a molecular weight of 301.52 g/mol, XLogP of 2.40, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 58883059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).