2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine

C13H25N3 — CID 110980059

IUPAC2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC1CCCCC1C
InChIInChI=1S/C13H25N3/c1-4-9-15-13(14-3)16-10-12-8-6-5-7-11(12)2/h4,11-12H,1,5-10H2,2-3H3,(H2,14,15,16)
InChIKeySNVNZCLHCCRVSN-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.16
Rot. Bonds4

About 2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine

2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine (PubChem CID 110980059) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine
PubChem CID110980059
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC1CCCCC1C
InChIInChI=1S/C13H25N3/c1-4-9-15-13(14-3)16-10-12-8-6-5-7-11(12)2/h4,11-12H,1,5-10H2,2-3H3,(H2,14,15,16)
InChIKeySNVNZCLHCCRVSN-UHFFFAOYSA-N
XLogP2.16
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-(cyclopropylmethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111867847
1-(2-methoxyethyl)-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine
CID 110939534
2-methyl-1-[(2-methylcyclohexyl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344192
N-tert-butyl-2-[[N'-methyl-N-[(2-methylcyclohexyl)methyl]carbamimidoyl]amino]acetamide
CID 111383343
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 119116270
2-methyl-1-prop-2-enyl-3-[[4-(trifluoromethyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 119140570
tert-butyl 2-[[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]methyl]piperidine-1-carboxylate
CID 110980603
2-methyl-1-[(2-methylcyclohexyl)methyl]-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111559390
tert-butyl 2-[[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 110980602
2-methyl-1-[2-(2-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine
CID 110980231
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 110982011
2-methyl-1-[(2-methylcyclohexyl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111904237

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine?
The IUPAC name of 2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine (CID 110980059) is 2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine?
The canonical SMILES for 2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCC1CCCCC1C.
What is the InChIKey of 2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine?
The InChIKey is SNVNZCLHCCRVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-9-15-13(14-3)16-10-12-8-6-5-7-11(12)2/h4,11-12H,1,5-10H2,2-3H3,(H2,14,15,16).
What are the key properties of 2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine?
2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine has a molecular weight of 223.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 110980059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).