N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine

C17H26ClNS — CID 63521834

IUPACN-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccc(Cl)s2)CC2CCC1C2
InChIInChI=1S/C17H26ClNS/c1-16(2,3)19-11-17(9-12-4-5-13(17)8-12)10-14-6-7-15(18)20-14/h6-7,12-13,19H,4-5,8-11H2,1-3H3
InChIKeyZFCAOXSHNNWZEM-UHFFFAOYSA-N
MW311.92 g/mol
LogP5.14
Rot. Bonds4

About N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine

N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine (PubChem CID 63521834) has the molecular formula C17H26ClNS and a molecular weight of 311.92 g/mol. Its IUPAC name is N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
PubChem CID63521834
Molecular FormulaC17H26ClNS
Molecular Weight311.92 g/mol
Exact Mass311.15
IUPAC NameN-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccc(Cl)s2)CC2CCC1C2
InChIInChI=1S/C17H26ClNS/c1-16(2,3)19-11-17(9-12-4-5-13(17)8-12)10-14-6-7-15(18)20-14/h6-7,12-13,19H,4-5,8-11H2,1-3H3
InChIKeyZFCAOXSHNNWZEM-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.92
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63522529
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 112644073
N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 63522034
N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104510031
N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 63521635
2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521306
2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 106705987
N-[[2-(3-methoxy-3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 103036761
N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 116523635
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63494590
1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 55197369
N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63522182

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine (CID 63521834) is N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2ccc(Cl)s2)CC2CCC1C2.
What is the InChIKey of N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZFCAOXSHNNWZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNS/c1-16(2,3)19-11-17(9-12-4-5-13(17)8-12)10-14-6-7-15(18)20-14/h6-7,12-13,19H,4-5,8-11H2,1-3H3.
What are the key properties of N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine has a molecular weight of 311.92 g/mol, XLogP of 5.14, 4 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)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63521834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).