N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine

C17H39N3 — CID 102994441

IUPACN'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine
SMILESCCC(CCN)CCCN(CC)CCCN(CC)CC
InChIInChI=1S/C17H39N3/c1-5-17(12-13-18)11-9-14-20(8-4)16-10-15-19(6-2)7-3/h17H,5-16,18H2,1-4H3
InChIKeyQQLATBAWXPBMQU-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.20
Rot. Bonds14

About N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine

N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine (PubChem CID 102994441) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine
PubChem CID102994441
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC NameN'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine
SMILESCCC(CCN)CCCN(CC)CCCN(CC)CC
InChIInChI=1S/C17H39N3/c1-5-17(12-13-18)11-9-14-20(8-4)16-10-15-19(6-2)7-3/h17H,5-16,18H2,1-4H3
InChIKeyQQLATBAWXPBMQU-UHFFFAOYSA-N
XLogP3.20
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-6-(diethylamino)-3-ethylhexan-1-ol
CID 118889911
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[(4S)-4-ethyloctyl]amino]propyl]propane-1,3-diamine
CID 134527343
N',N',2-triethyl-N-methylpentane-1,5-diamine
CID 142375045
N,N'-bis(3-aminopropyl)-N-butyl-N',3-diethylpentane-1,5-diamine
CID 135177575
7-(diethylamino)-3-ethylheptan-1-ol
CID 144711867
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400
N'-butyl-N',2-diethylbutane-1,4-diamine
CID 81079998
(3R)-3-ethylnonan-1-amine
CID 163925868
1-N,1-N-diethylhexane-1,4-diamine
CID 86612309
(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine
CID 118890299
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
N',N'-diethylnonane-1,9-diamine
CID 22055140

Frequently Asked Questions

What is the IUPAC name of N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine?
The IUPAC name of N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine (CID 102994441) is N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine.
What is the SMILES notation for N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine?
The canonical SMILES for N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine is CCC(CCN)CCCN(CC)CCCN(CC)CC.
What is the InChIKey of N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine?
The InChIKey is QQLATBAWXPBMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-5-17(12-13-18)11-9-14-20(8-4)16-10-15-19(6-2)7-3/h17H,5-16,18H2,1-4H3.
What are the key properties of N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine?
N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine has a molecular weight of 285.52 g/mol, XLogP of 3.20, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine is sourced from PubChem (CID 102994441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).