2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine

C13H31N3 — CID 174433909

IUPAC2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine
SMILESCNC(CCC(C)(NC)C(C)NC)C(C)C
InChIInChI=1S/C13H31N3/c1-10(2)12(15-6)8-9-13(4,16-7)11(3)14-5/h10-12,14-16H,8-9H2,1-7H3
InChIKeyPQYZAVYKKIGDPX-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.60
Rot. Bonds8

About 2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine

2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine (PubChem CID 174433909) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine.

Molecular Properties

Compound Name2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine
PubChem CID174433909
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine
SMILESCNC(CCC(C)(NC)C(C)NC)C(C)C
InChIInChI=1S/C13H31N3/c1-10(2)12(15-6)8-9-13(4,16-7)11(3)14-5/h10-12,14-16H,8-9H2,1-7H3
InChIKeyPQYZAVYKKIGDPX-UHFFFAOYSA-N
XLogP1.60
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine
CID 174433908
4-methyl-3-(methylamino)pentane-1-thiol
CID 116831345
5-methyl-4-(methylamino)hexanenitrile
CID 116955242
4-N,5-dimethylhexane-1,4-diamine
CID 116949244
2-methoxy-N,6,6-trimethylheptan-3-amine
CID 79616446
1-tert-butylsulfanyl-N,3-dimethylbutan-2-amine
CID 65132391
1,1-difluoro-N,5,5-trimethylhexan-2-amine
CID 103516587
3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine
CID 116724435
N,2,6-trimethylhept-6-en-3-amine
CID 114474208
(2R)-3-methyl-2-(methylamino)butan-1-ol
CID 12695789
6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine
CID 104564547
N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine
CID 107044605

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine?
The IUPAC name of 2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine (CID 174433909) is 2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine.
What is the SMILES notation for 2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine?
The canonical SMILES for 2-N,3-N,6-N,3,7-pentamethyloctane-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-pentamethyloctane-2,3,6-triamine?
The InChIKey is PQYZAVYKKIGDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-10(2)12(15-6)8-9-13(4,16-7)11(3)14-5/h10-12,14-16H,8-9H2,1-7H3.
What are the key properties of 2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine?
2-N,3-N,6-N,3,7-pentamethyloctane-2,3,6-triamine has a molecular weight of 229.41 g/mol, XLogP of 1.60, 8 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-pentamethyloctane-2,3,6-triamine is sourced from PubChem (CID 174433909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).