1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide

C15H23BrN2OS — CID 115441733

IUPAC1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(C)Cc2cc(Br)cs2)CC1
InChIInChI=1S/C15H23BrN2OS/c1-11-3-5-15(10-17,6-4-11)14(19)18(2)8-13-7-12(16)9-20-13/h7,9,11H,3-6,8,10,17H2,1-2H3
InChIKeyVKHMYGAUHYCNSB-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.62
Rot. Bonds4

About 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide

1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide (PubChem CID 115441733) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
PubChem CID115441733
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC Name1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(C)Cc2cc(Br)cs2)CC1
InChIInChI=1S/C15H23BrN2OS/c1-11-3-5-15(10-17,6-4-11)14(19)18(2)8-13-7-12(16)9-20-13/h7,9,11H,3-6,8,10,17H2,1-2H3
InChIKeyVKHMYGAUHYCNSB-UHFFFAOYSA-N
XLogP3.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
CID 115441678
1-(aminomethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 115442008
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 65395743
1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 115442195
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183743
1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115913456
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol
CID 65147574
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 113310523
1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide
CID 115441330
N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide
CID 79160058
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 81087845

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide (CID 115441733) is 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)N(C)Cc2cc(Br)cs2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is VKHMYGAUHYCNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-11-3-5-15(10-17,6-4-11)14(19)18(2)8-13-7-12(16)9-20-13/h7,9,11H,3-6,8,10,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).