3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine

C8H20GaN — CID 163442330

IUPAC3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine
SMILESCCN(C)CCC[Ga](C)C
InChIInChI=1S/C6H14N.2CH3.Ga/c1-4-6-7(3)5-2;;;/h1,4-6H2,2-3H3;2*1H3;
InChIKeyJMYCSUZHCFCLTD-UHFFFAOYSA-N
MW199.98 g/mol
LogP2.08
Rot. Bonds5

About 3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine

3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine (PubChem CID 163442330) has the molecular formula C8H20GaN and a molecular weight of 199.98 g/mol. Its IUPAC name is 3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine
PubChem CID163442330
Molecular FormulaC8H20GaN
Molecular Weight199.98 g/mol
Exact Mass199.09
IUPAC Name3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine
SMILESCCN(C)CCC[Ga](C)C
InChIInChI=1S/C6H14N.2CH3.Ga/c1-4-6-7(3)5-2;;;/h1,4-6H2,2-3H3;2*1H3;
InChIKeyJMYCSUZHCFCLTD-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.98
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

zinc;carbanide;N-ethyl-N-methylbutan-1-amine
CID 171588695
4-dimethylgallanyl-N,N-diethylbutan-1-amine
CID 19877470
N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;propane
CID 142350934
N-ethyl-N-methyltridecan-1-amine
CID 71442842
N,N'-diethyl-N,N'-dimethylbutane-1,4-diamine;N-ethyl-N,N'-dimethyl-N'-pentylbutane-1,4-diamine;hexane
CID 160540999
ethane;N-ethyl-N-methylpentan-1-amine
CID 142145247
N-ethyl-N-methyloctadecan-1-amine;hydrochloride
CID 174373981
N-ethyl-N-methyldodecan-1-amine;hydrochloride
CID 86105251
2-diethylgallanyl-N-ethyl-N-methylethanamine
CID 163793683
N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
CID 171588666
N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386623

Frequently Asked Questions

What is the IUPAC name of 3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine?
The IUPAC name of 3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine (CID 163442330) is 3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine?
The canonical SMILES for 3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine is CCN(C)CCC[Ga](C)C.
What is the InChIKey of 3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine?
The InChIKey is JMYCSUZHCFCLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.2CH3.Ga/c1-4-6-7(3)5-2;;;/h1,4-6H2,2-3H3;2*1H3;.
What are the key properties of 3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine?
3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine has a molecular weight of 199.98 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine is sourced from PubChem (CID 163442330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).