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

C12H24N4 — CID 111096537

IUPAC1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN(CC)C1CC1
InChIInChI=1S/C12H24N4/c1-4-16(11-5-6-11)8-7-14-12(13)15-9-10(2)3/h11H,2,4-9H2,1,3H3,(H3,13,14,15)
InChIKeyXPKXIKWDFYWSCY-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.95
Rot. Bonds7

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

1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 111096537) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID111096537
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN(CC)C1CC1
InChIInChI=1S/C12H24N4/c1-4-16(11-5-6-11)8-7-14-12(13)15-9-10(2)3/h11H,2,4-9H2,1,3H3,(H3,13,14,15)
InChIKeyXPKXIKWDFYWSCY-UHFFFAOYSA-N
XLogP0.95
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.95
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

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(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine (CID 111096537) is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCCN(CC)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is XPKXIKWDFYWSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-16(11-5-6-11)8-7-14-12(13)15-9-10(2)3/h11H,2,4-9H2,1,3H3,(H3,13,14,15).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine?
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 224.35 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111096537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).