N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine

C15H25NS — CID 105017490

IUPACN,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
SMILESCCC(C)C(NC)c1cc2c(s1)CCCCC2
InChIInChI=1S/C15H25NS/c1-4-11(2)15(16-3)14-10-12-8-6-5-7-9-13(12)17-14/h10-11,15-16H,4-9H2,1-3H3
InChIKeyBECFCDNJFQMQIH-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.32
Rot. Bonds4

About N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine

N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine (PubChem CID 105017490) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
PubChem CID105017490
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
SMILESCCC(C)C(NC)c1cc2c(s1)CCCCC2
InChIInChI=1S/C15H25NS/c1-4-11(2)15(16-3)14-10-12-8-6-5-7-9-13(12)17-14/h10-11,15-16H,4-9H2,1-3H3
InChIKeyBECFCDNJFQMQIH-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine?
The IUPAC name of N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine (CID 105017490) is N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine is CCC(C)C(NC)c1cc2c(s1)CCCCC2.
What is the InChIKey of N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine?
The InChIKey is BECFCDNJFQMQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-11(2)15(16-3)14-10-12-8-6-5-7-9-13(12)17-14/h10-11,15-16H,4-9H2,1-3H3.
What are the key properties of N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine?
N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine is sourced from PubChem (CID 105017490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).