2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine

C13H21NS — CID 142603261

IUPAC2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine
SMILESCc1sc2c(c1C(C)CN)CCCCC2
InChIInChI=1S/C13H21NS/c1-9(8-14)13-10(2)15-12-7-5-3-4-6-11(12)13/h9H,3-8,14H2,1-2H3
InChIKeyRYUXDLRFAWFAQD-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.39
Rot. Bonds2

About 2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine

2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine (PubChem CID 142603261) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine
PubChem CID142603261
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine
SMILESCc1sc2c(c1C(C)CN)CCCCC2
InChIInChI=1S/C13H21NS/c1-9(8-14)13-10(2)15-12-7-5-3-4-6-11(12)13/h9H,3-8,14H2,1-2H3
InChIKeyRYUXDLRFAWFAQD-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine with MolForge

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Related Compounds

ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane
CID 143997008
2,3-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene;ethane
CID 90932941
2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine
CID 115345273
N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine
CID 142603195
2-butan-2-yl-3-fluoro-4,5,6,7-tetrahydro-1-benzothiophene
CID 143781055
(2-bromo-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-3-yl)methanamine
CID 114748647
2-amino-1-(3-chloro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 84795152
3-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 145481792
3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 123704110
2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol
CID 65185849
4-amino-3-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 120593339
1-(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanone
CID 86155962

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine?
The IUPAC name of 2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine (CID 142603261) is 2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine.
What is the SMILES notation for 2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine?
The canonical SMILES for 2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine is Cc1sc2c(c1C(C)CN)CCCCC2.
What is the InChIKey of 2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine?
The InChIKey is RYUXDLRFAWFAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-9(8-14)13-10(2)15-12-7-5-3-4-6-11(12)13/h9H,3-8,14H2,1-2H3.
What are the key properties of 2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine?
2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine is sourced from PubChem (CID 142603261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).