1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine

C10H19NO — CID 102647216

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)C1=CCCCO1
InChIInChI=1S/C10H19NO/c1-3-6-9(11-2)10-7-4-5-8-12-10/h7,9,11H,3-6,8H2,1-2H3
InChIKeyODCFSQYXUQAEMN-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.07
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine (PubChem CID 102647216) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine
PubChem CID102647216
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)C1=CCCCO1
InChIInChI=1S/C10H19NO/c1-3-6-9(11-2)10-7-4-5-8-12-10/h7,9,11H,3-6,8H2,1-2H3
InChIKeyODCFSQYXUQAEMN-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine (CID 102647216) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine is CCCC(NC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine?
The InChIKey is ODCFSQYXUQAEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-6-9(11-2)10-7-4-5-8-12-10/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 102647216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).