2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide

C15H22FN3 — CID 63669000

IUPAC2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(C)CC1CCCCC1
InChIInChI=1S/C15H22FN3/c1-19(10-11-5-3-2-4-6-11)14-8-7-12(16)9-13(14)15(17)18/h7-9,11H,2-6,10H2,1H3,(H3,17,18)
InChIKeySLHVKDBWLHFBDI-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.13
Rot. Bonds4

About 2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide

2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide (PubChem CID 63669000) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide
PubChem CID63669000
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(C)CC1CCCCC1
InChIInChI=1S/C15H22FN3/c1-19(10-11-5-3-2-4-6-11)14-8-7-12(16)9-13(14)15(17)18/h7-9,11H,2-6,10H2,1H3,(H3,17,18)
InChIKeySLHVKDBWLHFBDI-UHFFFAOYSA-N
XLogP3.13
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.13
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

3-bromo-4-[cyclopentylmethyl(methyl)amino]benzenecarboximidamide
CID 82799214
4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 60983822
2-bromo-4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 107536349
[2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol
CID 61446000
5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 63669170
3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513486
2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668828
5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 63673073
2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide
CID 63673253
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
CID 62493777
2-[cyclohexylmethyl(methyl)amino]benzenecarbothioamide
CID 54948078
3-chloro-4-[cyclopropylmethyl(methyl)amino]benzenecarboximidamide
CID 63088227

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide (CID 63669000) is 2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1N(C)CC1CCCCC1.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide?
The InChIKey is SLHVKDBWLHFBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-19(10-11-5-3-2-4-6-11)14-8-7-12(16)9-13(14)15(17)18/h7-9,11H,2-6,10H2,1H3,(H3,17,18).
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide?
2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide has a molecular weight of 263.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63669000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).