2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine

C11H24N4 — CID 102994207

IUPAC2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
SMILESCCN(CCCN(C)C)/C(N)=N/C1CC1
InChIInChI=1S/C11H24N4/c1-4-15(9-5-8-14(2)3)11(12)13-10-6-7-10/h10H,4-9H2,1-3H3,(H2,12,13)
InChIKeyMWVRSPZSSXOLOY-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.74
Rot. Bonds6

About 2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine

2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine (PubChem CID 102994207) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
PubChem CID102994207
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
SMILESCCN(CCCN(C)C)/C(N)=N/C1CC1
InChIInChI=1S/C11H24N4/c1-4-15(9-5-8-14(2)3)11(12)13-10-6-7-10/h10H,4-9H2,1-3H3,(H2,12,13)
InChIKeyMWVRSPZSSXOLOY-UHFFFAOYSA-N
XLogP0.74
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,6-Dimethyl-1-propyl-1,3,5-triazine-2,4-diamine
CID 427467
2-methyl-1-[2-[[(E)-N'-methylcarbamimidoyl]-sec-butyl-amino]ethyl]-1-sec-butyl-guanidine
CID 469977
1-Cyano-3,3-bis(propan-2-yl)guanidine
CID 11252236
1,1,2-Tri(propan-2-yl)guanidine
CID 22391788
1,1-dibutyl-2-(N'-butylcarbamimidoyl)guanidine
CID 9570964
1-Cyclopropyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364119
1-Cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364120
2-Cyclopropyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364566
1-Cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 110030244
1-Cyclopropyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 110030245
3-(Diaminomethylidene)-1,1-dipropylguanidine
CID 19788243
1-propan-2-yl-5,6-dihydro-4H-pyrimidin-2-amine
CID 21054625

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
The IUPAC name of 2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine (CID 102994207) is 2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine.
What is the SMILES notation for 2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
The canonical SMILES for 2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine is CCN(CCCN(C)C)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
The InChIKey is MWVRSPZSSXOLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-4-15(9-5-8-14(2)3)11(12)13-10-6-7-10/h10H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of 2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine?
2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine has a molecular weight of 212.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine is sourced from PubChem (CID 102994207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).