2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine

C15H24ClNS — CID 63403813

IUPAC2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C15H24ClNS/c1-3-4-11-5-7-14(17-2)12(9-11)10-13-6-8-15(16)18-13/h6,8,11-12,14,17H,3-5,7,9-10H2,1-2H3
InChIKeyCMVDWZBZOPBIKP-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.75
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine

2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 63403813) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
PubChem CID63403813
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C15H24ClNS/c1-3-4-11-5-7-14(17-2)12(9-11)10-13-6-8-15(16)18-13/h6,8,11-12,14,17H,3-5,7,9-10H2,1-2H3
InChIKeyCMVDWZBZOPBIKP-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.88
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403329
2-benzyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403724
2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63401168
2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 63461626
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 62128172
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
CID 81034508
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026091
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine
CID 63401618
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 65147671

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine (CID 63403813) is 2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(Cc2ccc(Cl)s2)C1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is CMVDWZBZOPBIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-3-4-11-5-7-14(17-2)12(9-11)10-13-6-8-15(16)18-13/h6,8,11-12,14,17H,3-5,7,9-10H2,1-2H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine?
2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 285.88 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63403813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).