1-[amino(ethyl)amino]propane-1,2-diamine

C5H16N4 — CID 123254215

IUPAC1-[amino(ethyl)amino]propane-1,2-diamine
SMILESCCN(N)C(N)C(C)N
InChIInChI=1S/C5H16N4/c1-3-9(8)5(7)4(2)6/h4-5H,3,6-8H2,1-2H3
InChIKeyWPLMBHLSCPLUCR-UHFFFAOYSA-N
MW132.21 g/mol
LogP-1.19
Rot. Bonds3

About 1-[amino(ethyl)amino]propane-1,2-diamine

1-[amino(ethyl)amino]propane-1,2-diamine (PubChem CID 123254215) has the molecular formula C5H16N4 and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-[amino(ethyl)amino]propane-1,2-diamine.

Molecular Properties

Compound Name1-[amino(ethyl)amino]propane-1,2-diamine
PubChem CID123254215
Molecular FormulaC5H16N4
Molecular Weight132.21 g/mol
Exact Mass132.14
IUPAC Name1-[amino(ethyl)amino]propane-1,2-diamine
SMILESCCN(N)C(N)C(C)N
InChIInChI=1S/C5H16N4/c1-3-9(8)5(7)4(2)6/h4-5H,3,6-8H2,1-2H3
InChIKeyWPLMBHLSCPLUCR-UHFFFAOYSA-N
XLogP-1.19
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[amino(ethyl)amino]ethanamine
CID 54377605
azane;butane;methanamine;2-methylpropane;propan-2-amine
CID 160786922
N,N-diethylethanamine;propan-2-amine
CID 19095085
1-N'-ethyl-1-N',2-dimethylpropane-1,1-diamine
CID 154977516
N,N-dimethylethanamine;2-methylpropane
CID 145274023
(2S)-3-methylbutan-2-amine;2-methylpropane
CID 161042679
(3R)-butane-2,3-diamine
CID 172719520
N-amino-N-(diethylamino)propan-2-amine
CID 163602241
3-N-ethyl-3-N-propylbutane-2,3-diamine
CID 61353173
(2S,3R)-3-bromobutan-2-amine
CID 13495075
(2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride
CID 137346902
(1R)-1-N',1-N'-dimethylpropane-1,1-diamine
CID 92569177

Frequently Asked Questions

What is the IUPAC name of 1-[amino(ethyl)amino]propane-1,2-diamine?
The IUPAC name of 1-[amino(ethyl)amino]propane-1,2-diamine (CID 123254215) is 1-[amino(ethyl)amino]propane-1,2-diamine.
What is the SMILES notation for 1-[amino(ethyl)amino]propane-1,2-diamine?
The canonical SMILES for 1-[amino(ethyl)amino]propane-1,2-diamine is CCN(N)C(N)C(C)N.
What is the InChIKey of 1-[amino(ethyl)amino]propane-1,2-diamine?
The InChIKey is WPLMBHLSCPLUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N4/c1-3-9(8)5(7)4(2)6/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 1-[amino(ethyl)amino]propane-1,2-diamine?
1-[amino(ethyl)amino]propane-1,2-diamine has a molecular weight of 132.21 g/mol, XLogP of -1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(ethyl)amino]propane-1,2-diamine is sourced from PubChem (CID 123254215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).