1-propan-2-yloxyethane-1,1-diamine

C5H14N2O — CID 163518548

IUPAC1-propan-2-yloxyethane-1,1-diamine
SMILESCC(C)OC(C)(N)N
InChIInChI=1S/C5H14N2O/c1-4(2)8-5(3,6)7/h4H,6-7H2,1-3H3
InChIKeyDIVIWGBRDKNJEE-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.00
Rot. Bonds2

About 1-propan-2-yloxyethane-1,1-diamine

1-propan-2-yloxyethane-1,1-diamine (PubChem CID 163518548) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-propan-2-yloxyethane-1,1-diamine.

Molecular Properties

Compound Name1-propan-2-yloxyethane-1,1-diamine
PubChem CID163518548
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name1-propan-2-yloxyethane-1,1-diamine
SMILESCC(C)OC(C)(N)N
InChIInChI=1S/C5H14N2O/c1-4(2)8-5(3,6)7/h4H,6-7H2,1-3H3
InChIKeyDIVIWGBRDKNJEE-UHFFFAOYSA-N
XLogP0.00
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane
CID 20782608
1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 129234675
2-(trichloromethoxy)propane
CID 87418636
2-isocyano-2-propan-2-yloxypropane
CID 22735052
2-amino-1-propan-2-yloxypropan-2-ol
CID 57307102
1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane
CID 131993511
1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide
CID 173066924
2-methyl-4-propan-2-yloxypentan-2-amine
CID 126737676
2-ethenoxy-2-propan-2-yloxypropane
CID 91036163
2,5-bis(2-aminopropan-2-yloxy)hexane-3,4-dione
CID 163545555
alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane
CID 175344436

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxyethane-1,1-diamine?
The IUPAC name of 1-propan-2-yloxyethane-1,1-diamine (CID 163518548) is 1-propan-2-yloxyethane-1,1-diamine.
What is the SMILES notation for 1-propan-2-yloxyethane-1,1-diamine?
The canonical SMILES for 1-propan-2-yloxyethane-1,1-diamine is CC(C)OC(C)(N)N.
What is the InChIKey of 1-propan-2-yloxyethane-1,1-diamine?
The InChIKey is DIVIWGBRDKNJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-4(2)8-5(3,6)7/h4H,6-7H2,1-3H3.
What are the key properties of 1-propan-2-yloxyethane-1,1-diamine?
1-propan-2-yloxyethane-1,1-diamine has a molecular weight of 118.18 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyethane-1,1-diamine is sourced from PubChem (CID 163518548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).