N,N'-bis(1-aminoethyl)propane-1,3-diamine

C7H20N4 — CID 19755984

IUPACN,N'-bis(1-aminoethyl)propane-1,3-diamine
SMILESCC(N)NCCCNC(C)N
InChIInChI=1S/C7H20N4/c1-6(8)10-4-3-5-11-7(2)9/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyVSLQEXDODJUTPO-UHFFFAOYSA-N
MW160.26 g/mol
LogP-0.83
Rot. Bonds6

About N,N'-bis(1-aminoethyl)propane-1,3-diamine

N,N'-bis(1-aminoethyl)propane-1,3-diamine (PubChem CID 19755984) has the molecular formula C7H20N4 and a molecular weight of 160.26 g/mol. Its IUPAC name is N,N'-bis(1-aminoethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(1-aminoethyl)propane-1,3-diamine
PubChem CID19755984
Molecular FormulaC7H20N4
Molecular Weight160.26 g/mol
Exact Mass160.17
IUPAC NameN,N'-bis(1-aminoethyl)propane-1,3-diamine
SMILESCC(N)NCCCNC(C)N
InChIInChI=1S/C7H20N4/c1-6(8)10-4-3-5-11-7(2)9/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyVSLQEXDODJUTPO-UHFFFAOYSA-N
XLogP-0.83
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-aminoethyl)propane-1,3-diamine?
The IUPAC name of N,N'-bis(1-aminoethyl)propane-1,3-diamine (CID 19755984) is N,N'-bis(1-aminoethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(1-aminoethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(1-aminoethyl)propane-1,3-diamine is CC(N)NCCCNC(C)N.
What is the InChIKey of N,N'-bis(1-aminoethyl)propane-1,3-diamine?
The InChIKey is VSLQEXDODJUTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N4/c1-6(8)10-4-3-5-11-7(2)9/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of N,N'-bis(1-aminoethyl)propane-1,3-diamine?
N,N'-bis(1-aminoethyl)propane-1,3-diamine has a molecular weight of 160.26 g/mol, XLogP of -0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-aminoethyl)propane-1,3-diamine is sourced from PubChem (CID 19755984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).