N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine

C10H24N2O — CID 162514509

IUPACN'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine
SMILESCC(C)(C)ONCCCCCCN
InChIInChI=1S/C10H24N2O/c1-10(2,3)13-12-9-7-5-4-6-8-11/h12H,4-9,11H2,1-3H3
InChIKeyUEMCZBKLKIEZPV-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.83
Rot. Bonds7

About N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine

N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine (PubChem CID 162514509) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine
PubChem CID162514509
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC NameN'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine
SMILESCC(C)(C)ONCCCCCCN
InChIInChI=1S/C10H24N2O/c1-10(2,3)13-12-9-7-5-4-6-8-11/h12H,4-9,11H2,1-3H3
InChIKeyUEMCZBKLKIEZPV-UHFFFAOYSA-N
XLogP1.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-aminohexylamino) 2,2-dimethylpropanoate
CID 58975914
1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol
CID 166786104
N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine
CID 123202708
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
2-(5-aminopentylamino)oxyethanol
CID 88588722
N-(7-aminoheptyl)thiohydroxylamine;ethane
CID 176551863
hexane-1,6-diamine;methanamine
CID 174275715
17-hydrazinylheptadecan-1-amine
CID 177027396
13-[2-(3-aminopropyl)hydrazinyl]tridecan-1-amine
CID 18353517
N'-(3-methylsulfanylpropyl)butane-1,4-diamine
CID 60895256
N'-(1,1-dihexoxyethyl)pentane-1,5-diamine
CID 134503579
octatriacontane-1,38-diamine
CID 54235792

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine?
The IUPAC name of N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine (CID 162514509) is N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine.
What is the SMILES notation for N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine?
The canonical SMILES for N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine is CC(C)(C)ONCCCCCCN.
What is the InChIKey of N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine?
The InChIKey is UEMCZBKLKIEZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-10(2,3)13-12-9-7-5-4-6-8-11/h12H,4-9,11H2,1-3H3.
What are the key properties of N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine?
N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine has a molecular weight of 188.31 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine is sourced from PubChem (CID 162514509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).