1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine

C18H23NS — CID 43222784

IUPAC1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine
SMILESc1ccc(-c2ccc(CNCC3CCCCC3)s2)cc1
InChIInChI=1S/C18H23NS/c1-3-7-15(8-4-1)13-19-14-17-11-12-18(20-17)16-9-5-2-6-10-16/h2,5-6,9-12,15,19H,1,3-4,7-8,13-14H2
InChIKeyJNAPTVJLSSVEEF-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.09
Rot. Bonds5

About 1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine

1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine (PubChem CID 43222784) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine
PubChem CID43222784
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine
SMILESc1ccc(-c2ccc(CNCC3CCCCC3)s2)cc1
InChIInChI=1S/C18H23NS/c1-3-7-15(8-4-1)13-19-14-17-11-12-18(20-17)16-9-5-2-6-10-16/h2,5-6,9-12,15,19H,1,3-4,7-8,13-14H2
InChIKeyJNAPTVJLSSVEEF-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine (CID 43222784) is 1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine is c1ccc(-c2ccc(CNCC3CCCCC3)s2)cc1.
What is the InChIKey of 1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine?
The InChIKey is JNAPTVJLSSVEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-3-7-15(8-4-1)13-19-14-17-11-12-18(20-17)16-9-5-2-6-10-16/h2,5-6,9-12,15,19H,1,3-4,7-8,13-14H2.
What are the key properties of 1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine?
1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine has a molecular weight of 285.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 43222784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).