alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine

C9H26AlN3 — CID 174343884

IUPACalumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine
SMILESCCCC(NC)(NC)C(C)NC.[AlH3]
InChIInChI=1S/C9H23N3.Al.3H/c1-6-7-9(11-4,12-5)8(2)10-3;;;;/h8,10-12H,6-7H2,1-5H3;;;;
InChIKeyRUEVKCFWUQBWHD-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.65
Rot. Bonds6

About alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine

alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine (PubChem CID 174343884) has the molecular formula C9H26AlN3 and a molecular weight of 203.31 g/mol. Its IUPAC name is alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine.

Molecular Properties

Compound Namealumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine
PubChem CID174343884
Molecular FormulaC9H26AlN3
Molecular Weight203.31 g/mol
Exact Mass203.19
IUPAC Namealumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine
SMILESCCCC(NC)(NC)C(C)NC.[AlH3]
InChIInChI=1S/C9H23N3.Al.3H/c1-6-7-9(11-4,12-5)8(2)10-3;;;;/h8,10-12H,6-7H2,1-5H3;;;;
InChIKeyRUEVKCFWUQBWHD-UHFFFAOYSA-N
XLogP-0.65
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N,3-N,3-N'-trimethylhex-5-ene-2,3,3-triamine
CID 174686343
3-ethyl-N,2-dimethylhexan-3-amine
CID 138660886
(2R)-2-methyl-2-(methylamino)pentan-1-ol
CID 93471033
4-ethyl-N,7-dimethyloctan-4-amine
CID 167249904
3-methyl-3-propylhexan-2-ol
CID 20501676
N,4-dimethylheptan-4-amine;ethane
CID 143105274
2-N,3-N,6-N,3,7-pentamethyloct-6-ene-2,3,6-triamine
CID 174433908
2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 138459549
3-methyl-3-(methylamino)nonan-1-ol
CID 65235279
1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine
CID 170018068
trihydroxy(4-trihydroxysilylheptan-4-yl)silane
CID 139769925
1-(3-methylhexan-3-yloxy)ethanol
CID 87753364

Frequently Asked Questions

What is the IUPAC name of alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine?
The IUPAC name of alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine (CID 174343884) is alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine.
What is the SMILES notation for alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine?
The canonical SMILES for alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine is CCCC(NC)(NC)C(C)NC.[AlH3].
What is the InChIKey of alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine?
The InChIKey is RUEVKCFWUQBWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3.Al.3H/c1-6-7-9(11-4,12-5)8(2)10-3;;;;/h8,10-12H,6-7H2,1-5H3;;;;.
What are the key properties of alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine?
alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine has a molecular weight of 203.31 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine is sourced from PubChem (CID 174343884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).