6-aminohexyl tert-butyl carbonate;hydrochloride

C11H24ClNO3 — CID 18431977

IUPAC6-aminohexyl tert-butyl carbonate;hydrochloride
SMILESCC(C)(C)OC(=O)OCCCCCCN.Cl
InChIInChI=1S/C11H23NO3.ClH/c1-11(2,3)15-10(13)14-9-7-5-4-6-8-12;/h4-9,12H2,1-3H3;1H
InChIKeyBAFIHJQMQKUNII-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.88
Rot. Bonds6

About 6-aminohexyl tert-butyl carbonate;hydrochloride

6-aminohexyl tert-butyl carbonate;hydrochloride (PubChem CID 18431977) has the molecular formula C11H24ClNO3 and a molecular weight of 253.77 g/mol. Its IUPAC name is 6-aminohexyl tert-butyl carbonate;hydrochloride.

Molecular Properties

Compound Name6-aminohexyl tert-butyl carbonate;hydrochloride
PubChem CID18431977
Molecular FormulaC11H24ClNO3
Molecular Weight253.77 g/mol
Exact Mass253.14
IUPAC Name6-aminohexyl tert-butyl carbonate;hydrochloride
SMILESCC(C)(C)OC(=O)OCCCCCCN.Cl
InChIInChI=1S/C11H23NO3.ClH/c1-11(2,3)15-10(13)14-9-7-5-4-6-8-12;/h4-9,12H2,1-3H3;1H
InChIKeyBAFIHJQMQKUNII-UHFFFAOYSA-N
XLogP2.88
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.88
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

tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate
CID 87663163
tert-butyl heptyl carbonate
CID 14883661
tert-butyl dodecyl carbonate
CID 13437280
bis(6-aminohexyl) carbonate
CID 87932900
5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl tert-butyl carbonate
CID 23729656
tert-butyl 7-amino-2-(5-aminopentyl)heptanoate
CID 140652279
6-aminohexyl hydrogen carbonate;hydrochloride
CID 171616811
2-bromoethyl tert-butyl carbonate
CID 165178852
ditert-butyl 2-amino-2-(9-aminononyl)propanedioate
CID 91092434
tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
CID 57299810
9-aminononyl carbamate
CID 87884060
tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]butyl carbonate
CID 152610717

Frequently Asked Questions

What is the IUPAC name of 6-aminohexyl tert-butyl carbonate;hydrochloride?
The IUPAC name of 6-aminohexyl tert-butyl carbonate;hydrochloride (CID 18431977) is 6-aminohexyl tert-butyl carbonate;hydrochloride.
What is the SMILES notation for 6-aminohexyl tert-butyl carbonate;hydrochloride?
The canonical SMILES for 6-aminohexyl tert-butyl carbonate;hydrochloride is CC(C)(C)OC(=O)OCCCCCCN.Cl.
What is the InChIKey of 6-aminohexyl tert-butyl carbonate;hydrochloride?
The InChIKey is BAFIHJQMQKUNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3.ClH/c1-11(2,3)15-10(13)14-9-7-5-4-6-8-12;/h4-9,12H2,1-3H3;1H.
What are the key properties of 6-aminohexyl tert-butyl carbonate;hydrochloride?
6-aminohexyl tert-butyl carbonate;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexyl tert-butyl carbonate;hydrochloride is sourced from PubChem (CID 18431977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).