2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine

C19H41N5 — CID 111691544

IUPAC2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(C1CC1)N(C)C)NCCCN(C(C)C)C(C)C
InChIInChI=1S/C19H41N5/c1-8-20-19(22-14-18(23(6)7)17-10-11-17)21-12-9-13-24(15(2)3)16(4)5/h15-18H,8-14H2,1-7H3,(H2,20,21,22)
InChIKeyOKTMASVTCVCPCV-UHFFFAOYSA-N
MW339.57 g/mol
LogP2.39
Rot. Bonds11

About 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine

2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine (PubChem CID 111691544) has the molecular formula C19H41N5 and a molecular weight of 339.57 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine
PubChem CID111691544
Molecular FormulaC19H41N5
Molecular Weight339.57 g/mol
Exact Mass339.34
IUPAC Name2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(C1CC1)N(C)C)NCCCN(C(C)C)C(C)C
InChIInChI=1S/C19H41N5/c1-8-20-19(22-14-18(23(6)7)17-10-11-17)21-12-9-13-24(15(2)3)16(4)5/h15-18H,8-14H2,1-7H3,(H2,20,21,22)
InChIKeyOKTMASVTCVCPCV-UHFFFAOYSA-N
XLogP2.39
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 52.39
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'}

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Related Compounds

2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine
CID 111161967
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161966
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002732
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110982902
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125895
1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 111692070
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(cyclopropylmethyl)-3-ethylguanidine
CID 111868072
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine
CID 111714935
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234742
1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111692069
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006544
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180508

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine?
The IUPAC name of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine (CID 111691544) is 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine.
What is the SMILES notation for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine?
The canonical SMILES for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine is CCN/C(=N\CC(C1CC1)N(C)C)NCCCN(C(C)C)C(C)C.
What is the InChIKey of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine?
The InChIKey is OKTMASVTCVCPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N5/c1-8-20-19(22-14-18(23(6)7)17-10-11-17)21-12-9-13-24(15(2)3)16(4)5/h15-18H,8-14H2,1-7H3,(H2,20,21,22).
What are the key properties of 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine?
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine has a molecular weight of 339.57 g/mol, XLogP of 2.39, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[3-[di(propan-2-yl)amino]propyl]-3-ethylguanidine is sourced from PubChem (CID 111691544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).