1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine

C13H26N4 — CID 111099196

IUPAC1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN(C(C)C)C1CC1
InChIInChI=1S/C13H26N4/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12-5-6-12/h11-12H,1,5-9H2,2-4H3,(H3,14,15,16)
InChIKeyFDLPAJNYWUDBEC-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.34
Rot. Bonds7

About 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine

1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 111099196) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID111099196
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN(C(C)C)C1CC1
InChIInChI=1S/C13H26N4/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12-5-6-12/h11-12H,1,5-9H2,2-4H3,(H3,14,15,16)
InChIKeyFDLPAJNYWUDBEC-UHFFFAOYSA-N
XLogP1.34
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.34
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'}

Analyze 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine 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

6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine
CID 163970964
1-Cyclopropyl-2-[2-(diethylamino)propyl]guanidine
CID 53555655
2-Cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine
CID 55210400
1-Cyclopropyl-2-[2-(diethylamino)ethyl]guanidine
CID 62361499
1-Cyclopropyl-2-[2-[di(propan-2-yl)amino]ethyl]guanidine
CID 62362167
1-Cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine
CID 62405867
1-[2-[Cyclopropyl(methyl)amino]ethyl]-2-methylguanidine
CID 62412139
1-Cyclopropyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 62635491
1-[2-[Cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 62980116
2-[2-[Cyclopropyl(methyl)amino]ethyl]-1-ethylguanidine
CID 62980290
1-[2-[Cyclopropyl(methyl)amino]ethyl]-2-propylguanidine
CID 62980291
2-[2-[Cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine
CID 62980292

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine (CID 111099196) is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCCN(C(C)C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is FDLPAJNYWUDBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12-5-6-12/h11-12H,1,5-9H2,2-4H3,(H3,14,15,16).
What are the key properties of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 238.38 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111099196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).