1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine

C12H26N4 — CID 111600598

IUPAC1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN(CC)CCC
InChIInChI=1S/C12H26N4/c1-5-8-16(6-2)9-7-14-12(13)15-10-11(3)4/h3,5-10H2,1-2,4H3,(H3,13,14,15)
InChIKeyHPMNDCQIXQYHQC-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.20
Rot. Bonds8

About 1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine

1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 111600598) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID111600598
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN(CC)CCC
InChIInChI=1S/C12H26N4/c1-5-8-16(6-2)9-7-14-12(13)15-10-11(3)4/h3,5-10H2,1-2,4H3,(H3,13,14,15)
InChIKeyHPMNDCQIXQYHQC-UHFFFAOYSA-N
XLogP1.20
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111077469
1-[3-(diethylamino)propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111025406
1-[3-(diethylamino)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111025405
2-(2-methylprop-2-enyl)-1-octylguanidine;hydroiodide
CID 109394322
N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111054612
2-butyl-1-[2-(diethylamino)ethyl]guanidine
CID 111022666
3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111077930
1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111078755
1-(4,4-dimethylpentyl)-2-(2-methylprop-2-enyl)guanidine
CID 111637998
1-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111089175
1-[2-(azepan-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111057045
1-[2-[ethyl(propyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111600589

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine (CID 111600598) is 1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCCN(CC)CCC.
What is the InChIKey of 1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is HPMNDCQIXQYHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-5-8-16(6-2)9-7-14-12(13)15-10-11(3)4/h3,5-10H2,1-2,4H3,(H3,13,14,15).
What are the key properties of 1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 226.37 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111600598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).