N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine

C13H21NO — CID 145138582

IUPACN-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
SMILESC=CC1=C(C=C)C(CNCCC)OCC1
InChIInChI=1S/C13H21NO/c1-4-8-14-10-13-12(6-3)11(5-2)7-9-15-13/h5-6,13-14H,2-4,7-10H2,1H3
InChIKeyBZWTYCOAAADVHK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.44
Rot. Bonds6

About N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine

N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine (PubChem CID 145138582) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
PubChem CID145138582
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
SMILESC=CC1=C(C=C)C(CNCCC)OCC1
InChIInChI=1S/C13H21NO/c1-4-8-14-10-13-12(6-3)11(5-2)7-9-15-13/h5-6,13-14H,2-4,7-10H2,1H3
InChIKeyBZWTYCOAAADVHK-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 129015871
(E,2S)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224603
(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224605
1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 134224607
N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
CID 134224689
N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
CID 142279459
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
1-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylmethanamine
CID 142279528
1-[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279546
N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
CID 145138560
2-(4-Fluorocyclohexa-1,5-dien-1-yl)morpholine
CID 147833140
2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine
CID 177151938

Frequently Asked Questions

What is the IUPAC name of N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine (CID 145138582) is N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine is C=CC1=C(C=C)C(CNCCC)OCC1.
What is the InChIKey of N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine?
The InChIKey is BZWTYCOAAADVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-8-14-10-13-12(6-3)11(5-2)7-9-15-13/h5-6,13-14H,2-4,7-10H2,1H3.
What are the key properties of N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine?
N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine is sourced from PubChem (CID 145138582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).