2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine

C18H29NOS — CID 107558229

IUPAC2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC1CC=CCC1COCc1ccc(CNC(C)(C)C)s1
InChIInChI=1S/C18H29NOS/c1-14-7-5-6-8-15(14)12-20-13-17-10-9-16(21-17)11-19-18(2,3)4/h5-6,9-10,14-15,19H,7-8,11-13H2,1-4H3
InChIKeyBMZHIXJOKBKKHN-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.76
Rot. Bonds6

About 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107558229) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107558229
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC1CC=CCC1COCc1ccc(CNC(C)(C)C)s1
InChIInChI=1S/C18H29NOS/c1-14-7-5-6-8-15(14)12-20-13-17-10-9-16(21-17)11-19-18(2,3)4/h5-6,9-10,14-15,19H,7-8,11-13H2,1-4H3
InChIKeyBMZHIXJOKBKKHN-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine (CID 107558229) is 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine is CC1CC=CCC1COCc1ccc(CNC(C)(C)C)s1.
What is the InChIKey of 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is BMZHIXJOKBKKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-14-7-5-6-8-15(14)12-20-13-17-10-9-16(21-17)11-19-18(2,3)4/h5-6,9-10,14-15,19H,7-8,11-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 307.50 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107558229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).