1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine

C17H32N4 — CID 111807644

IUPAC1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCC1CCCN1CC1CCCCC1
InChIInChI=1S/C17H32N4/c1-14(2)11-19-17(18)20-12-16-9-6-10-21(16)13-15-7-4-3-5-8-15/h15-16H,1,3-13H2,2H3,(H3,18,19,20)
InChIKeyRBEDLPZRKRWAEG-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.51
Rot. Bonds6

About 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine

1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 111807644) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID111807644
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCC1CCCN1CC1CCCCC1
InChIInChI=1S/C17H32N4/c1-14(2)11-19-17(18)20-12-16-9-6-10-21(16)13-15-7-4-3-5-8-15/h15-16H,1,3-13H2,2H3,(H3,18,19,20)
InChIKeyRBEDLPZRKRWAEG-UHFFFAOYSA-N
XLogP2.51
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
CID 111807653
1-[(1-methylpiperidin-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111086810
tert-butyl 2-[[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111085931
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide
CID 111032192
1-[2-(azepan-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111057045
1-[(2,6-dimethyloxan-4-yl)methyl]-2-(2-methylprop-2-enyl)guanidine
CID 120679848
tert-butyl 3-[[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111083006
1-[3-(azepan-1-yl)propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111029596
1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119158570
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1-phenylguanidine
CID 111111458
2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine
CID 111809668
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine (CID 111807644) is 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCC1CCCN1CC1CCCCC1.
What is the InChIKey of 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is RBEDLPZRKRWAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-14(2)11-19-17(18)20-12-16-9-6-10-21(16)13-15-7-4-3-5-8-15/h15-16H,1,3-13H2,2H3,(H3,18,19,20).
What are the key properties of 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine?
1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 292.47 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111807644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).