2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine

C13H29N3 — CID 174433908

IUPAC2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine
SMILESCNC(CCC(C)(NC)C(C)NC)=C(C)C
InChIInChI=1S/C13H29N3/c1-10(2)12(15-6)8-9-13(4,16-7)11(3)14-5/h11,14-16H,8-9H2,1-7H3
InChIKeyZFGVPROBPYQLQT-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.87
Rot. Bonds7

About 2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine

2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine (PubChem CID 174433908) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine.

Molecular Properties

Compound Name2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine
PubChem CID174433908
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine
SMILESCNC(CCC(C)(NC)C(C)NC)=C(C)C
InChIInChI=1S/C13H29N3/c1-10(2)12(15-6)8-9-13(4,16-7)11(3)14-5/h11,14-16H,8-9H2,1-7H3
InChIKeyZFGVPROBPYQLQT-UHFFFAOYSA-N
XLogP1.87
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine
CID 174433909
(6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride
CID 146300999
alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine
CID 174343884
N,2,5-trimethylhept-2-en-3-amine
CID 177136361
2,3-dimethyl-2-(methylamino)butan-1-ol
CID 62488626
(2S)-3-methyl-3-(methylamino)oct-7-en-2-ol
CID 155337272
N-[2-methyl-3-(methylamino)butan-2-yl]acetamide
CID 170339118
2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine
CID 174686343
N-methylacetamide;1-(methylamino)ethanol
CID 159501218
1-N,1-N'-dimethyl-1-propan-2-ylsilylethane-1,1-diamine
CID 173059311
(2R)-3,3-difluoro-N-methylbutan-2-amine;hydrochloride
CID 170910721
methyl 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanoate
CID 107771758

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine?
The IUPAC name of 2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine (CID 174433908) is 2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine.
What is the SMILES notation for 2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine?
The canonical SMILES for 2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine is CNC(CCC(C)(NC)C(C)NC)=C(C)C.
What is the InChIKey of 2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine?
The InChIKey is ZFGVPROBPYQLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-10(2)12(15-6)8-9-13(4,16-7)11(3)14-5/h11,14-16H,8-9H2,1-7H3.
What are the key properties of 2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine?
2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine has a molecular weight of 227.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine is sourced from PubChem (CID 174433908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).