N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine

C19H27NS — CID 105027903

IUPACN-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
SMILESCCCNC(c1cc2ccccc2s1)C1CCCCCC1
InChIInChI=1S/C19H27NS/c1-2-13-20-19(15-9-5-3-4-6-10-15)18-14-16-11-7-8-12-17(16)21-18/h7-8,11-12,14-15,19-20H,2-6,9-10,13H2,1H3
InChIKeyNZZIVWYSEPOYED-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.91
Rot. Bonds5

About N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine

N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine (PubChem CID 105027903) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
PubChem CID105027903
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC NameN-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
SMILESCCCNC(c1cc2ccccc2s1)C1CCCCCC1
InChIInChI=1S/C19H27NS/c1-2-13-20-19(15-9-5-3-4-6-10-15)18-14-16-11-7-8-12-17(16)21-18/h7-8,11-12,14-15,19-20H,2-6,9-10,13H2,1H3
InChIKeyNZZIVWYSEPOYED-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 105027664
1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
CID 114980128
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906
N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine
CID 80532063
1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 115778262
1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991075
2-[chloro(cyclohexyl)methyl]-1-benzothiophene
CID 66778612
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757
1-(1-benzothiophen-2-yl)-N-propylprop-2-en-1-amine
CID 105001090
1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
CID 115863688
N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine
CID 63948456
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine (CID 105027903) is N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine is CCCNC(c1cc2ccccc2s1)C1CCCCCC1.
What is the InChIKey of N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine?
The InChIKey is NZZIVWYSEPOYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-2-13-20-19(15-9-5-3-4-6-10-15)18-14-16-11-7-8-12-17(16)21-18/h7-8,11-12,14-15,19-20H,2-6,9-10,13H2,1H3.
What are the key properties of N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine?
N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine is sourced from PubChem (CID 105027903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).