lithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride

C20H46AlLiN4O — CID 159759130

IUPAClithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride
SMILESNC(=O)CNC1CCCCCCC1.NCCNC1CCCCCCC1.[AlH3].[H-].[Li+]
InChIInChI=1S/C10H20N2O.C10H22N2.Al.Li.4H/c11-10(13)8-12-9-6-4-2-1-3-5-7-9;11-8-9-12-10-6-4-2-1-3-5-7-10;;;;;;/h9,12H,1-8H2,(H2,11,13);10,12H,1-9,11H2;;;;;;/q;;;+1;;;;-1
InChIKeyBMSUYXFIDUEVFX-UHFFFAOYSA-N
MW392.54 g/mol
LogP-1.25
Rot. Bonds6

About lithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride

lithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride (PubChem CID 159759130) has the molecular formula C20H46AlLiN4O and a molecular weight of 392.54 g/mol. Its IUPAC name is lithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride.

Molecular Properties

Compound Namelithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride
PubChem CID159759130
Molecular FormulaC20H46AlLiN4O
Molecular Weight392.54 g/mol
Exact Mass392.36
IUPAC Namelithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride
SMILESNC(=O)CNC1CCCCCCC1.NCCNC1CCCCCCC1.[AlH3].[H-].[Li+]
InChIInChI=1S/C10H20N2O.C10H22N2.Al.Li.4H/c11-10(13)8-12-9-6-4-2-1-3-5-7-9;11-8-9-12-10-6-4-2-1-3-5-7-10;;;;;;/h9,12H,1-8H2,(H2,11,13);10,12H,1-9,11H2;;;;;;/q;;;+1;;;;-1
InChIKeyBMSUYXFIDUEVFX-UHFFFAOYSA-N
XLogP-1.25
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)acetamide
CID 13444045
N'-cycloundecylethane-1,2-diamine
CID 166845791
N'-cyclopentylethane-1,2-diamine;dihydrochloride
CID 154725501
N-carbamoyl-2-(cycloheptylamino)acetamide
CID 43236721
N'-cycloheptylbutane-1,4-diamine
CID 60894157
sodium;2-(cyclohexylamino)acetic acid;hydroxide
CID 164959041
4-[(2-amino-2-oxoethyl)amino]piperidine-1-carboxamide
CID 43754739
(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide
CID 143684092
2-(cyclooctylamino)-N-methylacetamide
CID 28575796
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide
CID 43553526
3-(2-aminoethylamino)cyclohexane-1-carboxylic acid
CID 63652681
butyl 2-(cyclooctylamino)acetate
CID 54917785

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride?
The IUPAC name of lithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride (CID 159759130) is lithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride.
What is the SMILES notation for lithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride?
The canonical SMILES for lithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride is NC(=O)CNC1CCCCCCC1.NCCNC1CCCCCCC1.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride?
The InChIKey is BMSUYXFIDUEVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C10H22N2.Al.Li.4H/c11-10(13)8-12-9-6-4-2-1-3-5-7-9;11-8-9-12-10-6-4-2-1-3-5-7-10;;;;;;/h9,12H,1-8H2,(H2,11,13);10,12H,1-9,11H2;;;;;;/q;;;+1;;;;-1.
What are the key properties of lithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride?
lithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride has a molecular weight of 392.54 g/mol, XLogP of -1.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;2-(cyclooctylamino)acetamide;N'-cyclooctylethane-1,2-diamine;hydride is sourced from PubChem (CID 159759130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).