3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine

C18H42N4 — CID 122628361

IUPAC3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine
SMILESCCN(CC)CCC(CN(CC)CC)C(N)CN(CC)CC
InChIInChI=1S/C18H42N4/c1-7-20(8-2)14-13-17(15-21(9-3)10-4)18(19)16-22(11-5)12-6/h17-18H,7-16,19H2,1-6H3
InChIKeyXKDADJDFNDSDHE-UHFFFAOYSA-N
MW314.56 g/mol
LogP2.35
Rot. Bonds14

About 3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine

3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine (PubChem CID 122628361) has the molecular formula C18H42N4 and a molecular weight of 314.56 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine.

Molecular Properties

Compound Name3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine
PubChem CID122628361
Molecular FormulaC18H42N4
Molecular Weight314.56 g/mol
Exact Mass314.34
IUPAC Name3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine
SMILESCCN(CC)CCC(CN(CC)CC)C(N)CN(CC)CC
InChIInChI=1S/C18H42N4/c1-7-20(8-2)14-13-17(15-21(9-3)10-4)18(19)16-22(11-5)12-6/h17-18H,7-16,19H2,1-6H3
InChIKeyXKDADJDFNDSDHE-UHFFFAOYSA-N
XLogP2.35
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-5-(diethylamino)pentan-2-one
CID 88995223
2-amino-3-(diethylamino)propan-1-ol
CID 57209208
(2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride
CID 137346902
(2R)-1-N,1-N-diethyl-4-methylpentane-1,2-diamine
CID 28596904
(2R)-2-amino-3-(diethylamino)propanamide
CID 94048632
1-N-ethyl-1-N-propylbutane-1,3-diamine
CID 43268683
1-N,1-N-diethylhexane-1,4-diamine
CID 86612309
(2R)-2-amino-3-(diethylamino)propanoic acid
CID 45082341
1-N,1-N-diethylhept-6-yne-1,3-diamine
CID 79087129
N,N-diethylethanamine;propan-2-amine
CID 19095085
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
(2S)-2-amino-6-(diethylamino)hexanoic acid
CID 53320301

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine?
The IUPAC name of 3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine (CID 122628361) is 3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine.
What is the SMILES notation for 3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine?
The canonical SMILES for 3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine is CCN(CC)CCC(CN(CC)CC)C(N)CN(CC)CC.
What is the InChIKey of 3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine?
The InChIKey is XKDADJDFNDSDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4/c1-7-20(8-2)14-13-17(15-21(9-3)10-4)18(19)16-22(11-5)12-6/h17-18H,7-16,19H2,1-6H3.
What are the key properties of 3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine?
3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine has a molecular weight of 314.56 g/mol, XLogP of 2.35, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-1-N,1-N,5-N,5-N-tetraethylpentane-1,2,5-triamine is sourced from PubChem (CID 122628361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).