3-ethylcyclopropane-1,1,2-triamine

C5H13N3 — CID 173013949

IUPAC3-ethylcyclopropane-1,1,2-triamine
SMILESCCC1C(N)C1(N)N
InChIInChI=1S/C5H13N3/c1-2-3-4(6)5(3,7)8/h3-4H,2,6-8H2,1H3
InChIKeyILMVNEUBMHLJTF-UHFFFAOYSA-N
MW115.18 g/mol
LogP-1.03
Rot. Bonds1

About 3-ethylcyclopropane-1,1,2-triamine

3-ethylcyclopropane-1,1,2-triamine (PubChem CID 173013949) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-ethylcyclopropane-1,1,2-triamine.

Molecular Properties

Compound Name3-ethylcyclopropane-1,1,2-triamine
PubChem CID173013949
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name3-ethylcyclopropane-1,1,2-triamine
SMILESCCC1C(N)C1(N)N
InChIInChI=1S/C5H13N3/c1-2-3-4(6)5(3,7)8/h3-4H,2,6-8H2,1H3
InChIKeyILMVNEUBMHLJTF-UHFFFAOYSA-N
XLogP-1.03
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethylcyclopropane-1,1,2-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-diethyl-1,1-difluorocyclopropane
CID 24974569
1-methylcyclopropane-1,2,3-triamine
CID 163904501
1,2-diethyl-4-methylbicyclo[1.1.0]butane
CID 123294287
(1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine
CID 91301916
cis-(2R,3S)-2,3-diethylcyclopropan-1-amine
CID 121336325
trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine
CID 178199671
2,3-diethyl-1-methyl-1-propylcyclopropane
CID 91292354
1-amino-2-ethylcyclopropan-1-ol
CID 163837248
(1R,2R,5S)-6-ethyl-5-methylbicyclo[3.1.0]hexan-2-ol
CID 143252497
(2Z,4E)-5-(4-ethyl-2,2,3,3-tetramethylcyclobutyl)-7-methylnona-2,4-dien-2-amine
CID 174325024
6-oxaspiro[2.5]octan-2-ylmethyl acetate
CID 131042123
2,3-diethyl-2-methylbicyclo[2.2.1]heptane
CID 58670456

Frequently Asked Questions

What is the IUPAC name of 3-ethylcyclopropane-1,1,2-triamine?
The IUPAC name of 3-ethylcyclopropane-1,1,2-triamine (CID 173013949) is 3-ethylcyclopropane-1,1,2-triamine.
What is the SMILES notation for 3-ethylcyclopropane-1,1,2-triamine?
The canonical SMILES for 3-ethylcyclopropane-1,1,2-triamine is CCC1C(N)C1(N)N.
What is the InChIKey of 3-ethylcyclopropane-1,1,2-triamine?
The InChIKey is ILMVNEUBMHLJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-2-3-4(6)5(3,7)8/h3-4H,2,6-8H2,1H3.
What are the key properties of 3-ethylcyclopropane-1,1,2-triamine?
3-ethylcyclopropane-1,1,2-triamine has a molecular weight of 115.18 g/mol, XLogP of -1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylcyclopropane-1,1,2-triamine is sourced from PubChem (CID 173013949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).