1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine

C8H22N4 — CID 20981244

IUPAC1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine
SMILESCCC(N)NC(C)NCC(C)N
InChIInChI=1S/C8H22N4/c1-4-8(10)12-7(3)11-5-6(2)9/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyYWDVSHICRSYYMA-UHFFFAOYSA-N
MW174.29 g/mol
LogP-0.45
Rot. Bonds6

About 1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine

1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine (PubChem CID 20981244) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine
PubChem CID20981244
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC Name1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine
SMILESCCC(N)NC(C)NCC(C)N
InChIInChI=1S/C8H22N4/c1-4-8(10)12-7(3)11-5-6(2)9/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyYWDVSHICRSYYMA-UHFFFAOYSA-N
XLogP-0.45
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-N-propan-2-ylpropane-1,2-diamine
CID 11480427
1-N'-(1-silylethyl)propane-1,1-diamine
CID 173101185
2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine
CID 14795132
1-N-hexan-2-ylpropane-1,2-diamine
CID 62201000
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine
CID 22341658
ethane;1-N-ethylpropane-1,2-diamine;propane
CID 145389769
1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine
CID 154626189
1-N'-[2-[2-(2-aminopropylamino)propylamino]propyl]tetracosane-1,1,6-triamine
CID 88512962
1-N-butan-2-ylbutane-1,2-diamine
CID 61150204
1-N'-butylpropane-1,1-diamine
CID 22184083
N-(2-aminopropyl)-2-ethylbutanamide
CID 63732725

Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine?
The IUPAC name of 1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine (CID 20981244) is 1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine.
What is the SMILES notation for 1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine?
The canonical SMILES for 1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine is CCC(N)NC(C)NCC(C)N.
What is the InChIKey of 1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine?
The InChIKey is YWDVSHICRSYYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c1-4-8(10)12-7(3)11-5-6(2)9/h6-8,11-12H,4-5,9-10H2,1-3H3.
What are the key properties of 1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine?
1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine has a molecular weight of 174.29 g/mol, XLogP of -0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine is sourced from PubChem (CID 20981244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).