N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine

C12H20N4 — CID 107501127

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine
SMILESC=CCN(Cc1cn(CCN)cn1)C1CC1
InChIInChI=1S/C12H20N4/c1-2-6-16(12-3-4-12)9-11-8-15(7-5-13)10-14-11/h2,8,10,12H,1,3-7,9,13H2
InChIKeyOHGODCKCZXBRQC-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.99
Rot. Bonds7

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine (PubChem CID 107501127) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine
PubChem CID107501127
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine
SMILESC=CCN(Cc1cn(CCN)cn1)C1CC1
InChIInChI=1S/C12H20N4/c1-2-6-16(12-3-4-12)9-11-8-15(7-5-13)10-14-11/h2,8,10,12H,1,3-7,9,13H2
InChIKeyOHGODCKCZXBRQC-UHFFFAOYSA-N
XLogP0.99
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine (CID 107501127) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine is C=CCN(Cc1cn(CCN)cn1)C1CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine?
The InChIKey is OHGODCKCZXBRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-6-16(12-3-4-12)9-11-8-15(7-5-13)10-14-11/h2,8,10,12H,1,3-7,9,13H2.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine has a molecular weight of 220.32 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine is sourced from PubChem (CID 107501127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).