N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine

C15H21NOS — CID 167757677

IUPACN-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(CNCC2(C3=CCOCC3)CC2)s1
InChIInChI=1S/C15H21NOS/c1-12-2-3-14(18-12)10-16-11-15(6-7-15)13-4-8-17-9-5-13/h2-4,16H,5-11H2,1H3
InChIKeyZUJNXXYMHOWLFU-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.27
Rot. Bonds5

About N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine

N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine (PubChem CID 167757677) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine
PubChem CID167757677
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(CNCC2(C3=CCOCC3)CC2)s1
InChIInChI=1S/C15H21NOS/c1-12-2-3-14(18-12)10-16-11-15(6-7-15)13-4-8-17-9-5-13/h2-4,16H,5-11H2,1H3
InChIKeyZUJNXXYMHOWLFU-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine with MolForge

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Related Compounds

4-methyl-N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 115758089
1-(5-methylthiophen-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129246
3-methyl-N-[(5-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 115768600
1-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 61365192
4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 66263926
2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 111696178
2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63503961
ethane;4-(5-methylthiophen-2-yl)-3,6-dihydro-2H-pyran
CID 168899149
2-(cyclohexen-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206598
N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555
N-[(5-methylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 62310353
2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine
CID 62056560

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine (CID 167757677) is N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine is Cc1ccc(CNCC2(C3=CCOCC3)CC2)s1.
What is the InChIKey of N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine?
The InChIKey is ZUJNXXYMHOWLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12-2-3-14(18-12)10-16-11-15(6-7-15)13-4-8-17-9-5-13/h2-4,16H,5-11H2,1H3.
What are the key properties of N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine?
N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine has a molecular weight of 263.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,6-dihydro-2H-pyran-4-yl)cyclopropyl]methyl]-1-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 167757677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).