6-aminohexyl carbonate

C7H14NO3- — CID 59921398

IUPAC6-aminohexyl carbonate
SMILESNCCCCCCOC(=O)[O-]
InChIInChI=1S/C7H15NO3/c8-5-3-1-2-4-6-11-7(9)10/h1-6,8H2,(H,9,10)/p-1
InChIKeyJIZOMXJRRBLPQF-UHFFFAOYSA-M
MW160.19 g/mol
LogP-0.13
Rot. Bonds6

About 6-aminohexyl carbonate

6-aminohexyl carbonate (PubChem CID 59921398) has the molecular formula C7H14NO3- and a molecular weight of 160.19 g/mol. Its IUPAC name is 6-aminohexyl carbonate.

Molecular Properties

Compound Name6-aminohexyl carbonate
PubChem CID59921398
Molecular FormulaC7H14NO3-
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name6-aminohexyl carbonate
SMILESNCCCCCCOC(=O)[O-]
InChIInChI=1S/C7H15NO3/c8-5-3-1-2-4-6-11-7(9)10/h1-6,8H2,(H,9,10)/p-1
InChIKeyJIZOMXJRRBLPQF-UHFFFAOYSA-M
XLogP-0.13
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dilithium;4-carboxylatooxybutyl carbonate
CID 101151816
dodecyl carbonate;methylazanium
CID 141334888
bis(6-aminohexyl) carbonate
CID 87932900
9-aminononyl carbamate
CID 87884060
hexyl carbonate;tin(4+)
CID 161248658
2-aminoethyl carbonate;copper(1+)
CID 174481265
silver 4-hydroxybutyl carbonate
CID 121333429
6-aminohexyl hydrogen carbonate;hydrochloride
CID 171616811
8-aminooctyl 2-methylpropanoate
CID 88886116
12-aminododecyl (2S)-2,6-diaminohexanoate
CID 175019301
6-aminohexyl butanoate
CID 15683407
5-(2-aminoethoxy)pentan-1-amine
CID 58473832

Frequently Asked Questions

What is the IUPAC name of 6-aminohexyl carbonate?
The IUPAC name of 6-aminohexyl carbonate (CID 59921398) is 6-aminohexyl carbonate.
What is the SMILES notation for 6-aminohexyl carbonate?
The canonical SMILES for 6-aminohexyl carbonate is NCCCCCCOC(=O)[O-].
What is the InChIKey of 6-aminohexyl carbonate?
The InChIKey is JIZOMXJRRBLPQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15NO3/c8-5-3-1-2-4-6-11-7(9)10/h1-6,8H2,(H,9,10)/p-1.
What are the key properties of 6-aminohexyl carbonate?
6-aminohexyl carbonate has a molecular weight of 160.19 g/mol, XLogP of -0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexyl carbonate is sourced from PubChem (CID 59921398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).