(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N,3-dimethylbutan-1-amine

C12H21NO — CID 79339322

IUPAC(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N,3-dimethylbutan-1-amine
SMILESCNC/C(=C\C1CCC=CO1)C(C)C
InChIInChI=1S/C12H21NO/c1-10(2)11(9-13-3)8-12-6-4-5-7-14-12/h5,7-8,10,12-13H,4,6,9H2,1-3H3/b11-8+
InChIKeyDTUKIQUJNBHINN-DHZHZOJOSA-N
MW195.31 g/mol
LogP2.48
Rot. Bonds4

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

(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N,3-dimethylbutan-1-amine (PubChem CID 79339322) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N,3-dimethylbutan-1-amine
PubChem CID79339322
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N,3-dimethylbutan-1-amine
SMILESCNC/C(=C\C1CCC=CO1)C(C)C
InChIInChI=1S/C12H21NO/c1-10(2)11(9-13-3)8-12-6-4-5-7-14-12/h5,7-8,10,12-13H,4,6,9H2,1-3H3/b11-8+
InChIKeyDTUKIQUJNBHINN-DHZHZOJOSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.48
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)-N,3-dimethylbutan-1-amine?
The IUPAC name of (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N,3-dimethylbutan-1-amine (CID 79339322) is (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N,3-dimethylbutan-1-amine?
The canonical SMILES for (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N,3-dimethylbutan-1-amine is CNC/C(=C\C1CCC=CO1)C(C)C.
What is the InChIKey of (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N,3-dimethylbutan-1-amine?
The InChIKey is DTUKIQUJNBHINN-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)11(9-13-3)8-12-6-4-5-7-14-12/h5,7-8,10,12-13H,4,6,9H2,1-3H3/b11-8+.
What are the key properties of (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N,3-dimethylbutan-1-amine?
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N,3-dimethylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.48, 4 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)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 79339322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).