(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine

C15H27NO — CID 79338655

IUPAC(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine
SMILESCC(C)/C(=C\C1CCC=CO1)CNC(C)(C)C
InChIInChI=1S/C15H27NO/c1-12(2)13(11-16-15(3,4)5)10-14-8-6-7-9-17-14/h7,9-10,12,14,16H,6,8,11H2,1-5H3/b13-10-
InChIKeyAZQFIBRSDDUNMU-RAXLEYEMSA-N
MW237.39 g/mol
LogP3.65
Rot. Bonds4

About (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine

(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine (PubChem CID 79338655) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine.

Molecular Properties

Compound Name(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine
PubChem CID79338655
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine
SMILESCC(C)/C(=C\C1CCC=CO1)CNC(C)(C)C
InChIInChI=1S/C15H27NO/c1-12(2)13(11-16-15(3,4)5)10-14-8-6-7-9-17-14/h7,9-10,12,14,16H,6,8,11H2,1-5H3/b13-10-
InChIKeyAZQFIBRSDDUNMU-RAXLEYEMSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine
CID 126706515
N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine
CID 134402328
(3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine
CID 143024917
(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515525
N-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine
CID 152050814
5-methyl-N-(2H-pyran-4-ylmethyl)cyclohex-3-en-1-amine
CID 173561603
(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine
CID 79323013
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79328688
(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine
CID 79329235
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine
CID 79329300
(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-methylbutan-1-amine
CID 79329739
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-propylbutan-1-amine
CID 79329893

Frequently Asked Questions

What is the IUPAC name of (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine?
The IUPAC name of (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine (CID 79338655) is (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine.
What is the SMILES notation for (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine?
The canonical SMILES for (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine is CC(C)/C(=C\C1CCC=CO1)CNC(C)(C)C.
What is the InChIKey of (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine?
The InChIKey is AZQFIBRSDDUNMU-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)13(11-16-15(3,4)5)10-14-8-6-7-9-17-14/h7,9-10,12,14,16H,6,8,11H2,1-5H3/b13-10-.
What are the key properties of (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine?
(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methylbutan-1-amine is sourced from PubChem (CID 79338655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).