6-aminohexyl hydrogen carbonate;hydrochloride

C7H16ClNO3 — CID 171616811

IUPAC6-aminohexyl hydrogen carbonate;hydrochloride
SMILESCl.NCCCCCCOC(=O)O
InChIInChI=1S/C7H15NO3.ClH/c8-5-3-1-2-4-6-11-7(9)10;/h1-6,8H2,(H,9,10);1H
InChIKeyNUKGCKHIEBMXPZ-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.62
Rot. Bonds6

About 6-aminohexyl hydrogen carbonate;hydrochloride

6-aminohexyl hydrogen carbonate;hydrochloride (PubChem CID 171616811) has the molecular formula C7H16ClNO3 and a molecular weight of 197.66 g/mol. Its IUPAC name is 6-aminohexyl hydrogen carbonate;hydrochloride.

Molecular Properties

Compound Name6-aminohexyl hydrogen carbonate;hydrochloride
PubChem CID171616811
Molecular FormulaC7H16ClNO3
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name6-aminohexyl hydrogen carbonate;hydrochloride
SMILESCl.NCCCCCCOC(=O)O
InChIInChI=1S/C7H15NO3.ClH/c8-5-3-1-2-4-6-11-7(9)10;/h1-6,8H2,(H,9,10);1H
InChIKeyNUKGCKHIEBMXPZ-UHFFFAOYSA-N
XLogP1.62
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-carboxyoxyundecyl hydrogen carbonate
CID 87454351
6-carboxyoxyhexyl hydrogen carbonate
CID 10420507
carbonic acid;5-carboxyoxypentyl hydrogen carbonate
CID 87376927
bis(6-aminohexyl) carbonate
CID 87932900
9-aminononyl carbamate
CID 87884060
6-aminohexyl carbonate
CID 59921398
triheptacontyl hydrogen carbonate
CID 142754463
heptaheptacontyl hydrogen carbonate
CID 162768324
azane;nonyl hydrogen carbonate
CID 175306231
6-aminohexyl tert-butyl carbonate;hydrochloride
CID 18431977
8-aminooctyl 2-methylpropanoate
CID 88886116
6-carboxyoxyhexyl 6-hydroxyhexyl carbonate
CID 171600611

Frequently Asked Questions

What is the IUPAC name of 6-aminohexyl hydrogen carbonate;hydrochloride?
The IUPAC name of 6-aminohexyl hydrogen carbonate;hydrochloride (CID 171616811) is 6-aminohexyl hydrogen carbonate;hydrochloride.
What is the SMILES notation for 6-aminohexyl hydrogen carbonate;hydrochloride?
The canonical SMILES for 6-aminohexyl hydrogen carbonate;hydrochloride is Cl.NCCCCCCOC(=O)O.
What is the InChIKey of 6-aminohexyl hydrogen carbonate;hydrochloride?
The InChIKey is NUKGCKHIEBMXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.ClH/c8-5-3-1-2-4-6-11-7(9)10;/h1-6,8H2,(H,9,10);1H.
What are the key properties of 6-aminohexyl hydrogen carbonate;hydrochloride?
6-aminohexyl hydrogen carbonate;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexyl hydrogen carbonate;hydrochloride is sourced from PubChem (CID 171616811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).