1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine

C12H26N6 — CID 176546913

IUPAC1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C12H26N6/c1-9-5-4-6-12(7-9,18(2)3)8-16-11(15)17-10(13)14/h9H,4-8H2,1-3H3,(H6,13,14,15,16,17)
InChIKeyJCJMJUJOGKOQNV-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.29
Rot. Bonds3

About 1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine

1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine (PubChem CID 176546913) has the molecular formula C12H26N6 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
PubChem CID176546913
Molecular FormulaC12H26N6
Molecular Weight254.38 g/mol
Exact Mass254.22
IUPAC Name1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C12H26N6/c1-9-5-4-6-12(7-9,18(2)3)8-16-11(15)17-10(13)14/h9H,4-8H2,1-3H3,(H6,13,14,15,16,17)
InChIKeyJCJMJUJOGKOQNV-UHFFFAOYSA-N
XLogP0.29
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
CID 62361793
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
CID 62358998
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110927467
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111077192
ethyl 4-[[N'-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111077169
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111077161
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-propylguanidine
CID 111228683
1-carbamimidoyl-2-[[1-(2-methylpropyl)cyclopentyl]methyl]guanidine
CID 176546953
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343818
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138219
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107
5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide
CID 77031819

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine?
The IUPAC name of 1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine (CID 176546913) is 1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine?
The canonical SMILES for 1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine is [H]/N=C(\N)N/C(N)=N/CC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine?
The InChIKey is JCJMJUJOGKOQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N6/c1-9-5-4-6-12(7-9,18(2)3)8-16-11(15)17-10(13)14/h9H,4-8H2,1-3H3,(H6,13,14,15,16,17).
What are the key properties of 1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine?
1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine has a molecular weight of 254.38 g/mol, XLogP of 0.29, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine is sourced from PubChem (CID 176546913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).