1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine

C18H21NS — CID 79969750

IUPAC1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
SMILESc1cc(C2CC2)ccc1CNCc1cc2c(s1)CCC2
InChIInChI=1S/C18H21NS/c1-2-16-10-17(20-18(16)3-1)12-19-11-13-4-6-14(7-5-13)15-8-9-15/h4-7,10,15,19H,1-3,8-9,11-12H2
InChIKeyHCPBGLTYSJKHJF-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.40
Rot. Bonds5

About 1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine

1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine (PubChem CID 79969750) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
PubChem CID79969750
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
SMILESc1cc(C2CC2)ccc1CNCc1cc2c(s1)CCC2
InChIInChI=1S/C18H21NS/c1-2-16-10-17(20-18(16)3-1)12-19-11-13-4-6-14(7-5-13)15-8-9-15/h4-7,10,15,19H,1-3,8-9,11-12H2
InChIKeyHCPBGLTYSJKHJF-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 61208540
3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]benzonitrile
CID 61206641
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine
CID 107038125
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine
CID 112755344
4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881524
4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]-5-methylfuran-2-carboxylic acid
CID 103242944
1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
CID 64800283
2-[5-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82893996
3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]benzene-1,2-diol
CID 61320351
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113243110
1-(7-bromo-1,3-benzodioxol-5-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
CID 61209511
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine (CID 79969750) is 1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine is c1cc(C2CC2)ccc1CNCc1cc2c(s1)CCC2.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine?
The InChIKey is HCPBGLTYSJKHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-2-16-10-17(20-18(16)3-1)12-19-11-13-4-6-14(7-5-13)15-8-9-15/h4-7,10,15,19H,1-3,8-9,11-12H2.
What are the key properties of 1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine?
1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine has a molecular weight of 283.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 79969750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).