N-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine

C15H33GaN2 — CID 19904973

IUPACN-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1(CNCC)C[Ga](C)C
InChIInChI=1S/C13H27N2.2CH3.Ga/c1-4-14-10-12-8-6-7-9-13(12,3)11-15-5-2;;;/h12,14-15H,3-11H2,1-2H3;2*1H3;
InChIKeyXKIKJIFAHTVGKE-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.14
Rot. Bonds8

About N-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine

N-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine (PubChem CID 19904973) has the molecular formula C15H33GaN2 and a molecular weight of 311.17 g/mol. Its IUPAC name is N-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine
PubChem CID19904973
Molecular FormulaC15H33GaN2
Molecular Weight311.17 g/mol
Exact Mass310.19
IUPAC NameN-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1(CNCC)C[Ga](C)C
InChIInChI=1S/C13H27N2.2CH3.Ga/c1-4-14-10-12-8-6-7-9-13(12,3)11-15-5-2;;;/h12,14-15H,3-11H2,1-2H3;2*1H3;
InChIKeyXKIKJIFAHTVGKE-UHFFFAOYSA-N
XLogP3.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine (CID 19904973) is N-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine is CCNCC1CCCCC1(CNCC)C[Ga](C)C.
What is the InChIKey of N-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is XKIKJIFAHTVGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2.2CH3.Ga/c1-4-14-10-12-8-6-7-9-13(12,3)11-15-5-2;;;/h12,14-15H,3-11H2,1-2H3;2*1H3;.
What are the key properties of N-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine?
N-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 311.17 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylgallanylmethyl)-2-(ethylaminomethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 19904973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).