1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine

C9H15NO — CID 116660332

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine
SMILESC=CCC(N)C1=COCCC1
InChIInChI=1S/C9H15NO/c1-2-4-9(10)8-5-3-6-11-7-8/h2,7,9H,1,3-6,10H2
InChIKeyFTIGDQLMVQVUJP-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine (PubChem CID 116660332) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine
PubChem CID116660332
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine
SMILESC=CCC(N)C1=COCCC1
InChIInChI=1S/C9H15NO/c1-2-4-9(10)8-5-3-6-11-7-8/h2,7,9H,1,3-6,10H2
InChIKeyFTIGDQLMVQVUJP-UHFFFAOYSA-N
XLogP1.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
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

1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoropropan-1-amine
CID 104058657
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluorobutan-1-amine
CID 104059226
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine
CID 130605236
1-(3,4-dihydro-2H-pyran-5-yl)butan-2-amine
CID 55253626
1-(3,4-dihydro-2H-pyran-5-yl)propan-2-amine
CID 55253636
3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
CID 55255756
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-amine
CID 104058529
1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine
CID 104058535
1-(3,4-dihydro-2H-pyran-5-yl)ethan-1-amine
CID 104058536
1-(3,4-dihydro-2H-pyran-5-yl)butan-1-amine
CID 104058539
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxypropan-1-amine
CID 104058661
1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxybutan-1-amine
CID 104058908

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine (CID 116660332) is 1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine is C=CCC(N)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine?
The InChIKey is FTIGDQLMVQVUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-4-9(10)8-5-3-6-11-7-8/h2,7,9H,1,3-6,10H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)but-3-en-1-amine is sourced from PubChem (CID 116660332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).