N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide

C15H21BrN2 — CID 63177867

IUPACN-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide
SMILES[H]/N=C(\C1CCCCC1)N(C)Cc1ccccc1Br
InChIInChI=1S/C15H21BrN2/c1-18(11-13-9-5-6-10-14(13)16)15(17)12-7-3-2-4-8-12/h5-6,9-10,12,17H,2-4,7-8,11H2,1H3/b17-15+
InChIKeyRKXGJUGBPZHURW-BMRADRMJSA-N
MW309.25 g/mol
LogP4.44
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide

N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide (PubChem CID 63177867) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide
PubChem CID63177867
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC NameN-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide
SMILES[H]/N=C(\C1CCCCC1)N(C)Cc1ccccc1Br
InChIInChI=1S/C15H21BrN2/c1-18(11-13-9-5-6-10-14(13)16)15(17)12-7-3-2-4-8-12/h5-6,9-10,12,17H,2-4,7-8,11H2,1H3/b17-15+
InChIKeyRKXGJUGBPZHURW-BMRADRMJSA-N
XLogP4.44
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
N-[(3-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide
CID 63177509
N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457955
N-methyl-N-(2-thiophen-2-ylethyl)cyclohexanecarboximidamide
CID 79486974
N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide
CID 63175381
2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol
CID 55094820
N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide
CID 60647343
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboximidamide
CID 63725872
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide
CID 63177176
trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 124510929
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide (CID 63177867) is N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide is [H]/N=C(\C1CCCCC1)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide?
The InChIKey is RKXGJUGBPZHURW-BMRADRMJSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-18(11-13-9-5-6-10-14(13)16)15(17)12-7-3-2-4-8-12/h5-6,9-10,12,17H,2-4,7-8,11H2,1H3/b17-15+.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide?
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide has a molecular weight of 309.25 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide is sourced from PubChem (CID 63177867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).