1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine

C11H23N3 — CID 62364104

IUPAC1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine
SMILESCC/N=C(\N)N(C)CC1CCCCC1
InChIInChI=1S/C11H23N3/c1-3-13-11(12)14(2)9-10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyZNXLWKZDMFQVCP-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.83
Rot. Bonds3

About 1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine

1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine (PubChem CID 62364104) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine
PubChem CID62364104
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine
SMILESCC/N=C(\N)N(C)CC1CCCCC1
InChIInChI=1S/C11H23N3/c1-3-13-11(12)14(2)9-10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyZNXLWKZDMFQVCP-UHFFFAOYSA-N
XLogP1.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(cyclopentylmethyl)-1-methylguanidine
CID 77058534
2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine
CID 176547026
2-amino-1-(cyclopropylmethyl)-1-methylguanidine
CID 64868366
1-(cyclobutylmethyl)-1-methylurea
CID 62860439
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
2-amino-N-(cyclohexylmethyl)-2-ethyl-N-methylbutanamide
CID 79812390
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propylguanidine
CID 63273569
2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine
CID 110030438
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
1-cycloheptyl-N,N-dimethylmethanamine
CID 58845214
3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910420

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine?
The IUPAC name of 1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine (CID 62364104) is 1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine?
The canonical SMILES for 1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine is CC/N=C(\N)N(C)CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine?
The InChIKey is ZNXLWKZDMFQVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-3-13-11(12)14(2)9-10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of 1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine?
1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine has a molecular weight of 197.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine is sourced from PubChem (CID 62364104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).