2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine

C8H15NO — CID 105428277

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine
SMILESCC(CN)C1=CCOCC1
InChIInChI=1S/C8H15NO/c1-7(6-9)8-2-4-10-5-3-8/h2,7H,3-6,9H2,1H3
InChIKeyGJCPKMRGOXNLDF-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.93
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine

2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine (PubChem CID 105428277) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine
PubChem CID105428277
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine
SMILESCC(CN)C1=CCOCC1
InChIInChI=1S/C8H15NO/c1-7(6-9)8-2-4-10-5-3-8/h2,7H,3-6,9H2,1H3
InChIKeyGJCPKMRGOXNLDF-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.93
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

2-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine
CID 105430395
2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoroethanamine
CID 105428774
2-(3,6-dihydro-2H-pyran-4-yl)-2-fluoropropan-1-amine
CID 105431235
[(4S)-4-methoxycyclohex-2-en-1-yl]methanamine
CID 89381392
3-(3,6-dihydro-2H-pyran-4-yl)azetidine
CID 166469368
(4-Methoxycyclohex-2-en-1-yl)methanamine
CID 174928028
2-(3,6-dihydro-2H-pyran-4-yl)ethan-1-amine hydrochloride
CID 71757140
2-(3,6-dihydro-2H-pyran-4-yl)ethan-1-amine
CID 71757141
3-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine
CID 84049776
4-(Methoxymethyl)hex-4-en-1-amine
CID 103392067
4-(Methoxymethyl)-6-methylhept-4-en-1-amine
CID 103392068
(Z)-4-(methoxymethyl)non-4-en-1-amine
CID 103392070

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine (CID 105428277) is 2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine is CC(CN)C1=CCOCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine?
The InChIKey is GJCPKMRGOXNLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(6-9)8-2-4-10-5-3-8/h2,7H,3-6,9H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine?
2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine has a molecular weight of 141.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine is sourced from PubChem (CID 105428277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).