N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene

C11H26N4 — CID 143804175

IUPACN-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene
SMILESC=CC.CCN(C)C/N=C/NCCCN
InChIInChI=1S/C8H20N4.C3H6/c1-3-12(2)8-11-7-10-6-4-5-9;1-3-2/h7H,3-6,8-9H2,1-2H3,(H,10,11);3H,1H2,2H3
InChIKeyGOEXZRRVPRWWCP-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.05
Rot. Bonds7

About N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene

N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene (PubChem CID 143804175) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene.

Molecular Properties

Compound NameN-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene
PubChem CID143804175
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC NameN-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene
SMILESC=CC.CCN(C)C/N=C/NCCCN
InChIInChI=1S/C8H20N4.C3H6/c1-3-12(2)8-11-7-10-6-4-5-9;1-3-2/h7H,3-6,8-9H2,1-2H3,(H,10,11);3H,1H2,2H3
InChIKeyGOEXZRRVPRWWCP-UHFFFAOYSA-N
XLogP1.05
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene 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

1-(4-Aminobutyl)-3-but-3-en-1-ylguanidine
CID 137234568
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide
CID 90248355
N-(3-aminopropyl)-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide
CID 118489712
1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
CID 118489715
1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine
CID 118489738
N-methyl-N-[3-(methylamino)propyl]-N'-[(E)-prop-1-enyl]methanimidamide
CID 118490146
1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine
CID 131992426
N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 135626028
2-Butyl-1-(diaminomethylidene)-3-prop-2-enylguanidine
CID 136033510
N-(3-aminopropyl)-N'-methyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 145189916
1-methyl-5,6-dihydro-4H-pyrimidine;1,2,3,4-tetrahydropyrimidine
CID 169782697

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene?
The IUPAC name of N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene (CID 143804175) is N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene.
What is the SMILES notation for N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene?
The canonical SMILES for N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene is C=CC.CCN(C)C/N=C/NCCCN.
What is the InChIKey of N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene?
The InChIKey is GOEXZRRVPRWWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4.C3H6/c1-3-12(2)8-11-7-10-6-4-5-9;1-3-2/h7H,3-6,8-9H2,1-2H3,(H,10,11);3H,1H2,2H3.
What are the key properties of N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene?
N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene has a molecular weight of 214.36 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N'-[[ethyl(methyl)amino]methyl]methanimidamide;prop-1-ene is sourced from PubChem (CID 143804175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).