N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

C16H26ClNS — CID 107361277

IUPACN-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(CNC(C)(C)C)C(c2sccc2Cl)C1
InChIInChI=1S/C16H26ClNS/c1-11-5-6-12(10-18-16(2,3)4)13(9-11)15-14(17)7-8-19-15/h7-8,11-13,18H,5-6,9-10H2,1-4H3
InChIKeyHXCWOUPITIHDED-UHFFFAOYSA-N
MW299.91 g/mol
LogP5.31
Rot. Bonds3

About N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 107361277) has the molecular formula C16H26ClNS and a molecular weight of 299.91 g/mol. Its IUPAC name is N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID107361277
Molecular FormulaC16H26ClNS
Molecular Weight299.91 g/mol
Exact Mass299.15
IUPAC NameN-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(CNC(C)(C)C)C(c2sccc2Cl)C1
InChIInChI=1S/C16H26ClNS/c1-11-5-6-12(10-18-16(2,3)4)13(9-11)15-14(17)7-8-19-15/h7-8,11-13,18H,5-6,9-10H2,1-4H3
InChIKeyHXCWOUPITIHDED-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.91
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,5-dichlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033499
N-[[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81034139
N-[[2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81031360
[2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine
CID 81010319
N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81034592
N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 107361282
N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81032659
N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 107361249
N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022912
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033829
N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023958
N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine
CID 81032402

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 107361277) is N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is CC1CCC(CNC(C)(C)C)C(c2sccc2Cl)C1.
What is the InChIKey of N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is HXCWOUPITIHDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNS/c1-11-5-6-12(10-18-16(2,3)4)13(9-11)15-14(17)7-8-19-15/h7-8,11-13,18H,5-6,9-10H2,1-4H3.
What are the key properties of N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 299.91 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107361277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).