1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine

C15H30N4 — CID 110959393

IUPAC1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN/C(=N\CC1CCCN1C)NC1CCCCC1
InChIInChI=1S/C15H30N4/c1-3-16-15(18-13-8-5-4-6-9-13)17-12-14-10-7-11-19(14)2/h13-14H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyZCCFCRQIFMNERP-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.97
Rot. Bonds4

About 1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine

1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine (PubChem CID 110959393) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine
PubChem CID110959393
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN/C(=N\CC1CCCN1C)NC1CCCCC1
InChIInChI=1S/C15H30N4/c1-3-16-15(18-13-8-5-4-6-9-13)17-12-14-10-7-11-19(14)2/h13-14H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyZCCFCRQIFMNERP-UHFFFAOYSA-N
XLogP1.97
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.97
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'}

Analyze 1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
CID 110989004
1-ethyl-3-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 110976863
1-cyclopropyl-3-ethyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111759477
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024
2-(cyclopropylmethyl)-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111870622
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111247458
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111235406
1-amino-3-cyclohexyl-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 104883116
1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide
CID 110958506
1-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110973048
2-[(1-benzylpyrrolidin-2-yl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 111583369
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111649667

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine (CID 110959393) is 1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine is CCN/C(=N\CC1CCCN1C)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The InChIKey is ZCCFCRQIFMNERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-3-16-15(18-13-8-5-4-6-9-13)17-12-14-10-7-11-19(14)2/h13-14H,3-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine has a molecular weight of 266.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine is sourced from PubChem (CID 110959393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).