1-butoxypropane-1,1-diamine

C7H18N2O — CID 87535027

IUPAC1-butoxypropane-1,1-diamine
SMILESCCCCOC(N)(N)CC
InChIInChI=1S/C7H18N2O/c1-3-5-6-10-7(8,9)4-2/h3-6,8-9H2,1-2H3
InChIKeyPPQWMTKOXDWNDS-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.78
Rot. Bonds5

About 1-butoxypropane-1,1-diamine

1-butoxypropane-1,1-diamine (PubChem CID 87535027) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-butoxypropane-1,1-diamine.

Molecular Properties

Compound Name1-butoxypropane-1,1-diamine
PubChem CID87535027
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name1-butoxypropane-1,1-diamine
SMILESCCCCOC(N)(N)CC
InChIInChI=1S/C7H18N2O/c1-3-5-6-10-7(8,9)4-2/h3-6,8-9H2,1-2H3
InChIKeyPPQWMTKOXDWNDS-UHFFFAOYSA-N
XLogP0.78
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-decoxydecane-1,1-diamine
CID 87410137
1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336
3-butoxy-3-ethyloctane
CID 156635634
1-(1-butoxy-1-phosphorosoethoxy)butane
CID 54326502
ethyl 2-butoxy-2-ethyl-3-oxobutanoate
CID 174929475
5,5-dibutoxynonane
CID 89440038
1-(1,1-diaminopropoxy)propane-1,1-diamine
CID 19360642
[butoxy(diethoxy)methyl]silane
CID 3022902
boranuide;trimethyl(tributoxymethyl)azanium
CID 175509370
5,6-dibutoxy-5,6-dimethyldecane
CID 152500539
2,2-dibutoxypropan-1-ol
CID 145497919
3-butoxy-3-ethylpentanamide
CID 146302491

Frequently Asked Questions

What is the IUPAC name of 1-butoxypropane-1,1-diamine?
The IUPAC name of 1-butoxypropane-1,1-diamine (CID 87535027) is 1-butoxypropane-1,1-diamine.
What is the SMILES notation for 1-butoxypropane-1,1-diamine?
The canonical SMILES for 1-butoxypropane-1,1-diamine is CCCCOC(N)(N)CC.
What is the InChIKey of 1-butoxypropane-1,1-diamine?
The InChIKey is PPQWMTKOXDWNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-3-5-6-10-7(8,9)4-2/h3-6,8-9H2,1-2H3.
What are the key properties of 1-butoxypropane-1,1-diamine?
1-butoxypropane-1,1-diamine has a molecular weight of 146.23 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxypropane-1,1-diamine is sourced from PubChem (CID 87535027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).