1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine

C16H34N4 — CID 111256923

IUPAC1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
SMILESCCC(C)N(C)CCN/C(=N\C)NC1CCC(C)CC1
InChIInChI=1S/C16H34N4/c1-6-14(3)20(5)12-11-18-16(17-4)19-15-9-7-13(2)8-10-15/h13-15H,6-12H2,1-5H3,(H2,17,18,19)
InChIKeyLMHODCSGYWUKNP-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.46
Rot. Bonds6

About 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine

1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine (PubChem CID 111256923) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
PubChem CID111256923
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
SMILESCCC(C)N(C)CCN/C(=N\C)NC1CCC(C)CC1
InChIInChI=1S/C16H34N4/c1-6-14(3)20(5)12-11-18-16(17-4)19-15-9-7-13(2)8-10-15/h13-15H,6-12H2,1-5H3,(H2,17,18,19)
InChIKeyLMHODCSGYWUKNP-UHFFFAOYSA-N
XLogP2.46
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.46
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'}

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Related Compounds

1-[2-[butyl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111783409
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-butyl-2-methylguanidine
CID 111152364
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111913848
2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019040
2-methyl-1-(4-methylcyclohexyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778538
tert-butyl N-methyl-N-[2-[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]ethyl]carbamate
CID 111256095
1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255944
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111764337
1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine
CID 111779651
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111255649
2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111961691
1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine
CID 110991153

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine?
The IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine (CID 111256923) is 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine.
What is the SMILES notation for 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine?
The canonical SMILES for 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine is CCC(C)N(C)CCN/C(=N\C)NC1CCC(C)CC1.
What is the InChIKey of 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine?
The InChIKey is LMHODCSGYWUKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-6-14(3)20(5)12-11-18-16(17-4)19-15-9-7-13(2)8-10-15/h13-15H,6-12H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine?
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine has a molecular weight of 282.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine is sourced from PubChem (CID 111256923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).