N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine

C16H26ClNS — CID 81025130

IUPACN-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCCCC1c1ccc(Cl)s1
InChIInChI=1S/C16H26ClNS/c1-16(2,3)18-11-12-7-5-4-6-8-13(12)14-9-10-15(17)19-14/h9-10,12-13,18H,4-8,11H2,1-3H3
InChIKeyAROPORHFKVFOQC-UHFFFAOYSA-N
MW299.91 g/mol
LogP5.45
Rot. Bonds3

About N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine

N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine (PubChem CID 81025130) has the molecular formula C16H26ClNS and a molecular weight of 299.91 g/mol. Its IUPAC name is N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine
PubChem CID81025130
Molecular FormulaC16H26ClNS
Molecular Weight299.91 g/mol
Exact Mass299.15
IUPAC NameN-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCCCC1c1ccc(Cl)s1
InChIInChI=1S/C16H26ClNS/c1-16(2,3)18-11-12-7-5-4-6-8-13(12)14-9-10-15(17)19-14/h9-10,12-13,18H,4-8,11H2,1-3H3
InChIKeyAROPORHFKVFOQC-UHFFFAOYSA-N
XLogP5.45
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 ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine
CID 81025679
N-[[2-(5-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 81033855
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024853
N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023958
2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine
CID 81025625
N-[[2-(4-chloro-2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 81032805
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024708
N-[[4-tert-butyl-2-(5-chlorothiophen-2-yl)cyclohexyl]methyl]ethanamine
CID 81031211
N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 106763843
2-methyl-N-[(2-thiophen-3-ylcyclopentyl)methyl]propan-2-amine
CID 81027535
N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032279
1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81031868

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine (CID 81025130) is N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCCCC1c1ccc(Cl)s1.
What is the InChIKey of N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine?
The InChIKey is AROPORHFKVFOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNS/c1-16(2,3)18-11-12-7-5-4-6-8-13(12)14-9-10-15(17)19-14/h9-10,12-13,18H,4-8,11H2,1-3H3.
What are the key properties of N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine?
N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine has a molecular weight of 299.91 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81025130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).