2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine

C13H21ClN2S — CID 62616719

IUPAC2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
SMILESCN(Cc1ccc(Cl)s1)CC1CCCCC1N
InChIInChI=1S/C13H21ClN2S/c1-16(9-11-6-7-13(14)17-11)8-10-4-2-3-5-12(10)15/h6-7,10,12H,2-5,8-9,15H2,1H3
InChIKeyMOPHZLBUOWUNBG-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.35
Rot. Bonds4

About 2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine

2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine (PubChem CID 62616719) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
PubChem CID62616719
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
SMILESCN(Cc1ccc(Cl)s1)CC1CCCCC1N
InChIInChI=1S/C13H21ClN2S/c1-16(9-11-6-7-13(14)17-11)8-10-4-2-3-5-12(10)15/h6-7,10,12H,2-5,8-9,15H2,1H3
InChIKeyMOPHZLBUOWUNBG-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-amine
CID 62611523
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethylcycloheptan-1-amine
CID 63493297
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 61438820
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
CID 61438774
cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
CID 97033065
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62611190
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine
CID 79468727
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094127
(3aR,7aS)-2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9171902
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
CID 8849744
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 78823684

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine (CID 62616719) is 2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine is CN(Cc1ccc(Cl)s1)CC1CCCCC1N.
What is the InChIKey of 2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine?
The InChIKey is MOPHZLBUOWUNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-16(9-11-6-7-13(14)17-11)8-10-4-2-3-5-12(10)15/h6-7,10,12H,2-5,8-9,15H2,1H3.
What are the key properties of 2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine?
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine has a molecular weight of 272.84 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62616719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).