1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine

C15H23NOS — CID 103911347

IUPAC1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCC1(CNC(c2cccs2)C2CC2)CCOCC1
InChIInChI=1S/C15H23NOS/c1-15(6-8-17-9-7-15)11-16-14(12-4-5-12)13-3-2-10-18-13/h2-3,10,12,14,16H,4-9,11H2,1H3
InChIKeyAYXUMXATCPXFOB-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.61
Rot. Bonds5

About 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine

1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 103911347) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID103911347
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCC1(CNC(c2cccs2)C2CC2)CCOCC1
InChIInChI=1S/C15H23NOS/c1-15(6-8-17-9-7-15)11-16-14(12-4-5-12)13-3-2-10-18-13/h2-3,10,12,14,16H,4-9,11H2,1H3
InChIKeyAYXUMXATCPXFOB-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine (CID 103911347) is 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine is CC1(CNC(c2cccs2)C2CC2)CCOCC1.
What is the InChIKey of 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is AYXUMXATCPXFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-15(6-8-17-9-7-15)11-16-14(12-4-5-12)13-3-2-10-18-13/h2-3,10,12,14,16H,4-9,11H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine?
1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 265.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 103911347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).