1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine

C16H32N4 — CID 111255649

IUPAC1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
SMILESC/N=C(\NCC(C1CC1)N(C)C)NC1CCC(C)CC1
InChIInChI=1S/C16H32N4/c1-12-5-9-14(10-6-12)19-16(17-2)18-11-15(20(3)4)13-7-8-13/h12-15H,5-11H2,1-4H3,(H2,17,18,19)
InChIKeyYILHBOJOERNVBQ-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.07
Rot. Bonds5

About 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine

1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine (PubChem CID 111255649) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
PubChem CID111255649
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
SMILESC/N=C(\NCC(C1CC1)N(C)C)NC1CCC(C)CC1
InChIInChI=1S/C16H32N4/c1-12-5-9-14(10-6-12)19-16(17-2)18-11-15(20(3)4)13-7-8-13/h12-15H,5-11H2,1-4H3,(H2,17,18,19)
InChIKeyYILHBOJOERNVBQ-UHFFFAOYSA-N
XLogP2.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.07
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-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962357
1-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methyl-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111528472
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915203
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002730
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111256531
1-tert-butyl-3-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylguanidine
CID 110964719
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-heptan-2-yl-2-methylguanidine
CID 111194924
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111255833
1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111867413
1-(2-methoxy-3,3-dimethylbutyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111837082
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111256923
1-[2-[butyl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111783409

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine?
The IUPAC name of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine (CID 111255649) is 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine.
What is the SMILES notation for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine?
The canonical SMILES for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine is C/N=C(\NCC(C1CC1)N(C)C)NC1CCC(C)CC1.
What is the InChIKey of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine?
The InChIKey is YILHBOJOERNVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-12-5-9-14(10-6-12)19-16(17-2)18-11-15(20(3)4)13-7-8-13/h12-15H,5-11H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine?
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine has a molecular weight of 280.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine is sourced from PubChem (CID 111255649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).