1-(1,1-diaminopropoxy)propane-1,1-diamine

C6H18N4O — CID 19360642

IUPAC1-(1,1-diaminopropoxy)propane-1,1-diamine
SMILESCCC(N)(N)OC(N)(N)CC
InChIInChI=1S/C6H18N4O/c1-3-5(7,8)11-6(9,10)4-2/h3-4,7-10H2,1-2H3
InChIKeyMHXSWFCSHWECPZ-UHFFFAOYSA-N
MW162.24 g/mol
LogP-1.03
Rot. Bonds4

About 1-(1,1-diaminopropoxy)propane-1,1-diamine

1-(1,1-diaminopropoxy)propane-1,1-diamine (PubChem CID 19360642) has the molecular formula C6H18N4O and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-(1,1-diaminopropoxy)propane-1,1-diamine.

Molecular Properties

Compound Name1-(1,1-diaminopropoxy)propane-1,1-diamine
PubChem CID19360642
Molecular FormulaC6H18N4O
Molecular Weight162.24 g/mol
Exact Mass162.15
IUPAC Name1-(1,1-diaminopropoxy)propane-1,1-diamine
SMILESCCC(N)(N)OC(N)(N)CC
InChIInChI=1S/C6H18N4O/c1-3-5(7,8)11-6(9,10)4-2/h3-4,7-10H2,1-2H3
InChIKeyMHXSWFCSHWECPZ-UHFFFAOYSA-N
XLogP-1.03
TPSA113.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diaminopropoxy)propane-1,1-diamine?
The IUPAC name of 1-(1,1-diaminopropoxy)propane-1,1-diamine (CID 19360642) is 1-(1,1-diaminopropoxy)propane-1,1-diamine.
What is the SMILES notation for 1-(1,1-diaminopropoxy)propane-1,1-diamine?
The canonical SMILES for 1-(1,1-diaminopropoxy)propane-1,1-diamine is CCC(N)(N)OC(N)(N)CC.
What is the InChIKey of 1-(1,1-diaminopropoxy)propane-1,1-diamine?
The InChIKey is MHXSWFCSHWECPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4O/c1-3-5(7,8)11-6(9,10)4-2/h3-4,7-10H2,1-2H3.
What are the key properties of 1-(1,1-diaminopropoxy)propane-1,1-diamine?
1-(1,1-diaminopropoxy)propane-1,1-diamine has a molecular weight of 162.24 g/mol, XLogP of -1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diaminopropoxy)propane-1,1-diamine is sourced from PubChem (CID 19360642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).