1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine

C15H30FN3 — CID 109482822

IUPAC1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine
SMILESC/N=C(\NCCCF)NC(C)CCC1CCCCC1
InChIInChI=1S/C15H30FN3/c1-13(9-10-14-7-4-3-5-8-14)19-15(17-2)18-12-6-11-16/h13-14H,3-12H2,1-2H3,(H2,17,18,19)
InChIKeyNHVNTKYQIXWDLG-UHFFFAOYSA-N
MW271.42 g/mol
LogP3.26
Rot. Bonds7

About 1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine

1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine (PubChem CID 109482822) has the molecular formula C15H30FN3 and a molecular weight of 271.42 g/mol. Its IUPAC name is 1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine
PubChem CID109482822
Molecular FormulaC15H30FN3
Molecular Weight271.42 g/mol
Exact Mass271.24
IUPAC Name1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine
SMILESC/N=C(\NCCCF)NC(C)CCC1CCCCC1
InChIInChI=1S/C15H30FN3/c1-13(9-10-14-7-4-3-5-8-14)19-15(17-2)18-12-6-11-16/h13-14H,3-12H2,1-2H3,(H2,17,18,19)
InChIKeyNHVNTKYQIXWDLG-UHFFFAOYSA-N
XLogP3.26
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Aminopentyl)-3-(2-cyclohexylethyl)guanidine
CID 44222291
Guanidine, N,N'-dimethyl-N''-(1-methylcyclohexyl)-, monohydriodide
CID 3042092
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 54121121
(6R)-6-(3-fluorobutyl)-5-methyl-4-propan-2-yl-1,4,5,6-tetrahydropyrimidine
CID 155204845
1-Cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl) guanidine
CID 102913365
1,2-Dimethyl-3-(1-methylcyclohexyl)guanidine
CID 3042093
1,2-Dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 86778670
1,2-Dimethyl-3-[[3-(trifluoromethyl)cyclohexyl]methyl]guanidine
CID 86778671
1,2-dimethyl-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methyl]guanidine
CID 99814828
1,2-dimethyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methyl]guanidine
CID 99814830
1-[2-Cyclohexyl-2-(dimethylamino)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471106
1-[2-Cyclohexyl-2-(dimethylamino)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471107

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine?
The IUPAC name of 1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine (CID 109482822) is 1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine.
What is the SMILES notation for 1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine?
The canonical SMILES for 1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine is C/N=C(\NCCCF)NC(C)CCC1CCCCC1.
What is the InChIKey of 1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine?
The InChIKey is NHVNTKYQIXWDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30FN3/c1-13(9-10-14-7-4-3-5-8-14)19-15(17-2)18-12-6-11-16/h13-14H,3-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine?
1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine has a molecular weight of 271.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine is sourced from PubChem (CID 109482822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).