1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine

C13H31N3 — CID 106799873

IUPAC1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
SMILESCCNC(CC)CCCN(C)CCN(C)C
InChIInChI=1S/C13H31N3/c1-6-13(14-7-2)9-8-10-16(5)12-11-15(3)4/h13-14H,6-12H2,1-5H3
InChIKeyZGQXXAXAAGZKQC-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.65
Rot. Bonds10

About 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine

1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine (PubChem CID 106799873) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
PubChem CID106799873
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
SMILESCCNC(CC)CCCN(C)CCN(C)C
InChIInChI=1S/C13H31N3/c1-6-13(14-7-2)9-8-10-16(5)12-11-15(3)4/h13-14H,6-12H2,1-5H3
InChIKeyZGQXXAXAAGZKQC-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 63693980
1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799242
3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine
CID 115346552
N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine
CID 63946060
1-N-butyl-3-N-[2-[3-(dimethylamino)propyl-methylamino]ethyl]-1-N-methylpentane-1,3-diamine
CID 134400911
4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile
CID 63700649
4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine
CID 106799608
2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine
CID 62040977
N-ethylnonan-3-amine
CID 60996683
N,7-diethylnonan-3-amine
CID 82925508
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219
1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine
CID 106799304

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine (CID 106799873) is 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine is CCNC(CC)CCCN(C)CCN(C)C.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine?
The InChIKey is ZGQXXAXAAGZKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-6-13(14-7-2)9-8-10-16(5)12-11-15(3)4/h13-14H,6-12H2,1-5H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine?
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine is sourced from PubChem (CID 106799873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).