(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'}

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

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Related Compounds

1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-[(2-methoxycyclopenten-1-yl)methyl]methanamine
CID 122527862
N-[(3,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-2,3-dimethylbutan-1-amine
CID 130402805
but-1-ene;ethane;1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 141949628
N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine
CID 143275223
4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine
CID 143457436
(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515525
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
N-ethyl-3,4-di(propan-2-yl)-2H-pyran-2-amine
CID 152050814
(4Z)-N-ethyl-6-methoxy-2-methyl-3-methylidenehepta-4,6-dien-1-amine
CID 153340026
3-[(2-Methylcyclohexa-1,5-dien-1-yl)oxymethyl]pyrrolidine
CID 166104879
6-methyl-N-[(3E)-3-methylhexa-3,5-dienyl]-3-propan-2-yl-2H-pyran-2-amine
CID 169981689
5-methyl-N-(2H-pyran-4-ylmethyl)cyclohex-3-en-1-amine
CID 173561603

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).