[[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid

C16H34N2O4Si — CID 87274885

IUPAC[[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid
SMILESCCCCCCN(C(=O)O)[Si](C)(C)N(CCCCCC)C(=O)O
InChIInChI=1S/C16H34N2O4Si/c1-5-7-9-11-13-17(15(19)20)23(3,4)18(16(21)22)14-12-10-8-6-2/h5-14H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyNTDCWAHSGNYHOU-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.81
Rot. Bonds12

About [[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid

[[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid (PubChem CID 87274885) has the molecular formula C16H34N2O4Si and a molecular weight of 346.54 g/mol. Its IUPAC name is [[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid.

Molecular Properties

Compound Name[[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid
PubChem CID87274885
Molecular FormulaC16H34N2O4Si
Molecular Weight346.54 g/mol
Exact Mass346.23
IUPAC Name[[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid
SMILESCCCCCCN(C(=O)O)[Si](C)(C)N(CCCCCC)C(=O)O
InChIInChI=1S/C16H34N2O4Si/c1-5-7-9-11-13-17(15(19)20)23(3,4)18(16(21)22)14-12-10-8-6-2/h5-14H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyNTDCWAHSGNYHOU-UHFFFAOYSA-N
XLogP4.81
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[[carboxy(propyl)amino]-dimethylsilyl]-propylcarbamic acid
CID 87274858
hexyl(octadecyl)carbamic acid
CID 87702094
hexadecyl(methyl)carbamic acid
CID 15173799
hexyl(sulfanyl)carbamic acid
CID 175548234
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
2-[hexyl(methyl)amino]acetic acid
CID 10197909
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
CID 87839414
CID 87839414
2-[di(undecyl)amino]propanoic acid
CID 101313686
(2S)-2-(didecylamino)propanoic acid
CID 54553800
N,N,N',N'-tetrahexyloxamide
CID 6424911

Frequently Asked Questions

What is the IUPAC name of [[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid?
The IUPAC name of [[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid (CID 87274885) is [[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid.
What is the SMILES notation for [[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid?
The canonical SMILES for [[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid is CCCCCCN(C(=O)O)[Si](C)(C)N(CCCCCC)C(=O)O.
What is the InChIKey of [[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid?
The InChIKey is NTDCWAHSGNYHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O4Si/c1-5-7-9-11-13-17(15(19)20)23(3,4)18(16(21)22)14-12-10-8-6-2/h5-14H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of [[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid?
[[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid has a molecular weight of 346.54 g/mol, XLogP of 4.81, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[carboxy(hexyl)amino]-dimethylsilyl]-hexylcarbamic acid is sourced from PubChem (CID 87274885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).