(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine

C15H27NO — CID 79338938

IUPAC(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNC/C(=C\C1CCC=CO1)C(C)C
InChIInChI=1S/C15H27NO/c1-12(2)10-16-11-14(13(3)4)9-15-7-5-6-8-17-15/h6,8-9,12-13,15-16H,5,7,10-11H2,1-4H3/b14-9+
InChIKeyMIBIGTONKOQHJF-NTEUORMPSA-N
MW237.39 g/mol
LogP3.51
Rot. Bonds6

About (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine

(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 79338938) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID79338938
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNC/C(=C\C1CCC=CO1)C(C)C
InChIInChI=1S/C15H27NO/c1-12(2)10-16-11-14(13(3)4)9-15-7-5-6-8-17-15/h6,8-9,12-13,15-16H,5,7,10-11H2,1-4H3/b14-9+
InChIKeyMIBIGTONKOQHJF-NTEUORMPSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 79338938) is (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNC/C(=C\C1CCC=CO1)C(C)C.
What is the InChIKey of (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is MIBIGTONKOQHJF-NTEUORMPSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)10-16-11-14(13(3)4)9-15-7-5-6-8-17-15/h6,8-9,12-13,15-16H,5,7,10-11H2,1-4H3/b14-9+.
What are the key properties of (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine?
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79338938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).