2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine

C16H27NS — CID 81025625

IUPAC2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCCCC1c1ccsc1
InChIInChI=1S/C16H27NS/c1-16(2,3)17-11-13-7-5-4-6-8-15(13)14-9-10-18-12-14/h9-10,12-13,15,17H,4-8,11H2,1-3H3
InChIKeyRGGFOIMYWOZHKJ-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.80
Rot. Bonds3

About 2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine

2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine (PubChem CID 81025625) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine
PubChem CID81025625
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCCCC1c1ccsc1
InChIInChI=1S/C16H27NS/c1-16(2,3)17-11-13-7-5-4-6-8-15(13)14-9-10-18-12-14/h9-10,12-13,15,17H,4-8,11H2,1-3H3
InChIKeyRGGFOIMYWOZHKJ-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2-thiophen-3-ylcyclopentyl)methyl]propan-2-amine
CID 81027535
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024853
N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 81025130
N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027158
N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027960
N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023958
N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022912
N-[[2-(4-chloro-2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 81032805
N-[[2-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021961
2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81028338
N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine
CID 53275665
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine (CID 81025625) is 2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine is CC(C)(C)NCC1CCCCCC1c1ccsc1.
What is the InChIKey of 2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine?
The InChIKey is RGGFOIMYWOZHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-16(2,3)17-11-13-7-5-4-6-8-15(13)14-9-10-18-12-14/h9-10,12-13,15,17H,4-8,11H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine?
2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine is sourced from PubChem (CID 81025625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).