6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine

C13H32N4 — CID 87932680

IUPAC6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine
SMILESCN(C)CCCNCCCC(N)CCN(C)C
InChIInChI=1S/C13H32N4/c1-16(2)11-6-10-15-9-5-7-13(14)8-12-17(3)4/h13,15H,5-12,14H2,1-4H3
InChIKeyKTAWVWJZSYUGKY-UHFFFAOYSA-N
MW244.43 g/mol
LogP0.59
Rot. Bonds11

About 6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine

6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine (PubChem CID 87932680) has the molecular formula C13H32N4 and a molecular weight of 244.43 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine
PubChem CID87932680
Molecular FormulaC13H32N4
Molecular Weight244.43 g/mol
Exact Mass244.26
IUPAC Name6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine
SMILESCN(C)CCCNCCCC(N)CCN(C)C
InChIInChI=1S/C13H32N4/c1-16(2)11-6-10-15-9-5-7-13(14)8-12-17(3)4/h13,15H,5-12,14H2,1-4H3
InChIKeyKTAWVWJZSYUGKY-UHFFFAOYSA-N
XLogP0.59
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine
CID 57022854
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine
CID 172704929
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
1-N,1-N-dimethyloctane-1,5-diamine
CID 118262358
N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine
CID 107845044
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
N-(3-chloropentyl)-N',N'-dimethylpropane-1,3-diamine
CID 114526728
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine (CID 87932680) is 6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine is CN(C)CCCNCCCC(N)CCN(C)C.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine?
The InChIKey is KTAWVWJZSYUGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N4/c1-16(2)11-6-10-15-9-5-7-13(14)8-12-17(3)4/h13,15H,5-12,14H2,1-4H3.
What are the key properties of 6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine?
6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine has a molecular weight of 244.43 g/mol, XLogP of 0.59, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)propyl]-1-N,1-N-dimethylhexane-1,3,6-triamine is sourced from PubChem (CID 87932680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).