1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol

C12H19BrN2OS — CID 117039360

IUPAC1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccc(Br)s1)C1CCC(O)(CN)CC1
InChIInChI=1S/C12H19BrN2OS/c1-15(11-3-2-10(13)17-11)9-4-6-12(16,8-14)7-5-9/h2-3,9,16H,4-8,14H2,1H3
InChIKeyQLIGXYQEXQJLNB-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.58
Rot. Bonds3

About 1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol

1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol (PubChem CID 117039360) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol
PubChem CID117039360
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccc(Br)s1)C1CCC(O)(CN)CC1
InChIInChI=1S/C12H19BrN2OS/c1-15(11-3-2-10(13)17-11)9-4-6-12(16,8-14)7-5-9/h2-3,9,16H,4-8,14H2,1H3
InChIKeyQLIGXYQEXQJLNB-UHFFFAOYSA-N
XLogP2.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-Bromothiophen-2-yl)-methylamino]cyclohexan-1-ol
CID 115149414
N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine
CID 115213382
5-bromo-N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]thiophen-2-amine
CID 115213617
1-(Aminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol
CID 117039349
1-(Aminomethyl)-4-[(4-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol
CID 117039363
1-(Aminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol
CID 117039385
1-(Methylaminomethyl)-4-[methyl(thiophen-2-yl)amino]cyclohexan-1-ol
CID 117039433
4-[(5-Bromothiophen-2-yl)-methylamino]-1-(methylaminomethyl)cyclohexan-1-ol
CID 117039437
4-[(4-Bromothiophen-2-yl)-methylamino]-1-(methylaminomethyl)cyclohexan-1-ol
CID 117039440
1-(Methylaminomethyl)-4-[methyl-(3-methylthiophen-2-yl)amino]cyclohexan-1-ol
CID 117039458

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol (CID 117039360) is 1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol is CN(c1ccc(Br)s1)C1CCC(O)(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is QLIGXYQEXQJLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-15(11-3-2-10(13)17-11)9-4-6-12(16,8-14)7-5-9/h2-3,9,16H,4-8,14H2,1H3.
What are the key properties of 1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol?
1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 319.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 117039360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).