6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride

C10H24ClNO — CID 155820007

IUPAC6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride
SMILESCC(C)(C)OCCCCCCN.Cl
InChIInChI=1S/C10H23NO.ClH/c1-10(2,3)12-9-7-5-4-6-8-11;/h4-9,11H2,1-3H3;1H
InChIKeyISJGRJAVMBEMFC-UHFFFAOYSA-N
MW209.76 g/mol
LogP2.74
Rot. Bonds6

About 6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride

6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride (PubChem CID 155820007) has the molecular formula C10H24ClNO and a molecular weight of 209.76 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride
PubChem CID155820007
Molecular FormulaC10H24ClNO
Molecular Weight209.76 g/mol
Exact Mass209.15
IUPAC Name6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride
SMILESCC(C)(C)OCCCCCCN.Cl
InChIInChI=1S/C10H23NO.ClH/c1-10(2,3)12-9-7-5-4-6-8-11;/h4-9,11H2,1-3H3;1H
InChIKeyISJGRJAVMBEMFC-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.76
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(Tert-butoxy)hexan-1-amine
CID 20230572
5-[(2-Methylpropan-2-yl)oxy]pentan-1-amine;hydrochloride
CID 170917368
5-Ethoxyhexan-1-amine
CID 14874870
1-Hexan-3-yloxyhexan-1-amine
CID 19371183
3-Hexoxypentan-1-amine
CID 19432125
4-[(2-Methylpropan-2-yl)oxy]pentan-1-amine
CID 20230564
7-[(2-Methylpropan-2-yl)oxy]heptan-1-amine
CID 20230571
6-Ethoxyhexan-1-amine
CID 20328447
1-Ethoxyhexan-1-amine
CID 20365820
1-Butoxyhexan-1-amine
CID 21293176
1-Hexoxyhexan-1-amine
CID 22751774
6-Hexoxyhexan-1-amine
CID 53877797

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride (CID 155820007) is 6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride is CC(C)(C)OCCCCCCN.Cl.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride?
The InChIKey is ISJGRJAVMBEMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO.ClH/c1-10(2,3)12-9-7-5-4-6-8-11;/h4-9,11H2,1-3H3;1H.
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride?
6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride has a molecular weight of 209.76 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]hexan-1-amine;hydrochloride is sourced from PubChem (CID 155820007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).