1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine

C19H40N4O — CID 111692188

IUPAC1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
SMILESC/N=C(/NCCCOC1CCCC1)NCCCN(C(C)C)C(C)C
InChIInChI=1S/C19H40N4O/c1-16(2)23(17(3)4)14-8-12-21-19(20-5)22-13-9-15-24-18-10-6-7-11-18/h16-18H,6-15H2,1-5H3,(H2,20,21,22)
InChIKeyPWHODETXAOQUCT-UHFFFAOYSA-N
MW340.56 g/mol
LogP3.01
Rot. Bonds11

About 1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine

1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine (PubChem CID 111692188) has the molecular formula C19H40N4O and a molecular weight of 340.56 g/mol. Its IUPAC name is 1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
PubChem CID111692188
Molecular FormulaC19H40N4O
Molecular Weight340.56 g/mol
Exact Mass340.32
IUPAC Name1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
SMILESC/N=C(/NCCCOC1CCCC1)NCCCN(C(C)C)C(C)C
InChIInChI=1S/C19H40N4O/c1-16(2)23(17(3)4)14-8-12-21-19(20-5)22-13-9-15-24-18-10-6-7-11-18/h16-18H,6-15H2,1-5H3,(H2,20,21,22)
InChIKeyPWHODETXAOQUCT-UHFFFAOYSA-N
XLogP3.01
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 53.01
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

1-(3-cyclohexyloxypropyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111397047
1-(3-cyclopentyloxypropyl)-2-methyl-3-(4-methylpentyl)guanidine
CID 111943805
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 111178790
1-(3-cyclohexyloxypropyl)-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111398059
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111692531
1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111576077
1-(3-cyclohexyloxypropyl)-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
CID 111396927
1-butan-2-yl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
CID 110944370
1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine
CID 111946277
1-(3-cyclopentyloxypropyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111346015
1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111692570
1-(3-cyclohexyloxypropyl)-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 111397727

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine?
The IUPAC name of 1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine (CID 111692188) is 1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine.
What is the SMILES notation for 1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine?
The canonical SMILES for 1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine is C/N=C(/NCCCOC1CCCC1)NCCCN(C(C)C)C(C)C.
What is the InChIKey of 1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine?
The InChIKey is PWHODETXAOQUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O/c1-16(2)23(17(3)4)14-8-12-21-19(20-5)22-13-9-15-24-18-10-6-7-11-18/h16-18H,6-15H2,1-5H3,(H2,20,21,22).
What are the key properties of 1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine?
1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine has a molecular weight of 340.56 g/mol, XLogP of 3.01, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine is sourced from PubChem (CID 111692188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).