1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine

C15H27N5 — CID 111946359

IUPAC1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine
SMILESC/N=C(\NCCCC1CCCC1)NCCn1ccnc1
InChIInChI=1S/C15H27N5/c1-16-15(19-10-12-20-11-9-17-13-20)18-8-4-7-14-5-2-3-6-14/h9,11,13-14H,2-8,10,12H2,1H3,(H2,16,18,19)
InChIKeyUHUSBUIADXMZMB-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.02
Rot. Bonds7

About 1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine

1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine (PubChem CID 111946359) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine
PubChem CID111946359
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine
SMILESC/N=C(\NCCCC1CCCC1)NCCn1ccnc1
InChIInChI=1S/C15H27N5/c1-16-15(19-10-12-20-11-9-17-13-20)18-8-4-7-14-5-2-3-6-14/h9,11,13-14H,2-8,10,12H2,1H3,(H2,16,18,19)
InChIKeyUHUSBUIADXMZMB-UHFFFAOYSA-N
XLogP2.02
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.02
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-(cyclobutylmethyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 119151281
1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 110991929
1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110958079
1-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 111222590
1-(2-imidazol-1-ylethyl)-2-methyl-3-(oxan-4-ylmethyl)guanidine;hydroiodide
CID 119151460
3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114136924
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069
1-(2-imidazol-1-ylethyl)-2-methyl-3-(3-phenylpropyl)guanidine
CID 111198866
1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine
CID 111386093
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 111261046
1-[(2-tert-butyloxan-3-yl)methyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine
CID 111623268
1-(3-imidazol-1-ylpropyl)-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111644848

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine?
The IUPAC name of 1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine (CID 111946359) is 1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine?
The canonical SMILES for 1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine is C/N=C(\NCCCC1CCCC1)NCCn1ccnc1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine?
The InChIKey is UHUSBUIADXMZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-16-15(19-10-12-20-11-9-17-13-20)18-8-4-7-14-5-2-3-6-14/h9,11,13-14H,2-8,10,12H2,1H3,(H2,16,18,19).
What are the key properties of 1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine?
1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine has a molecular weight of 277.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine is sourced from PubChem (CID 111946359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).