N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide

C15H23BrN2OS — CID 119612184

IUPACN-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide
SMILESNCC1CCCCC1NC(=O)CCCc1ccc(Br)s1
InChIInChI=1S/C15H23BrN2OS/c16-14-9-8-12(20-14)5-3-7-15(19)18-13-6-2-1-4-11(13)10-17/h8-9,11,13H,1-7,10,17H2,(H,18,19)
InChIKeyGPZMIHPSYHBTJS-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide

N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide (PubChem CID 119612184) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide
PubChem CID119612184
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide
SMILESNCC1CCCCC1NC(=O)CCCc1ccc(Br)s1
InChIInChI=1S/C15H23BrN2OS/c16-14-9-8-12(20-14)5-3-7-15(19)18-13-6-2-1-4-11(13)10-17/h8-9,11,13H,1-7,10,17H2,(H,18,19)
InChIKeyGPZMIHPSYHBTJS-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide
CID 119610887
N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
CID 119611792
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 18163868
N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide
CID 119568116
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide
CID 106366998
4-[4-(5-bromothiophen-2-yl)butanoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79208986
N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
CID 119604150
N-[2-(aminomethyl)cyclopentyl]-4-(2-bromophenoxy)butanamide;hydrochloride
CID 119603805

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide (CID 119612184) is N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide is NCC1CCCCC1NC(=O)CCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide?
The InChIKey is GPZMIHPSYHBTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c16-14-9-8-12(20-14)5-3-7-15(19)18-13-6-2-1-4-11(13)10-17/h8-9,11,13H,1-7,10,17H2,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide?
N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide has a molecular weight of 359.33 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide is sourced from PubChem (CID 119612184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).