4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine

C10H19NO — CID 152961582

IUPAC4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine
SMILESCC1=COC(CCCCN)CC1
InChIInChI=1S/C10H19NO/c1-9-5-6-10(12-8-9)4-2-3-7-11/h8,10H,2-7,11H2,1H3
InChIKeyUQRFMRHPDWMBID-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.20
Rot. Bonds4

About 4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine

4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine (PubChem CID 152961582) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine
PubChem CID152961582
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine
SMILESCC1=COC(CCCCN)CC1
InChIInChI=1S/C10H19NO/c1-9-5-6-10(12-8-9)4-2-3-7-11/h8,10H,2-7,11H2,1H3
InChIKeyUQRFMRHPDWMBID-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.20
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

2-(5-Methoxycyclohexen-1-yl)ethanamine
CID 91609641
1-(3,4-dihydro-2H-pyran-5-yl)butan-2-amine
CID 55253626
1-(3,4-dihydro-2H-pyran-2-yl)butan-2-amine
CID 55254961
1-(3,4-dihydro-2H-pyran-5-yl)butan-1-amine
CID 104058539
1-(3,4-dihydro-2H-pyran-5-yl)pentan-1-amine
CID 104059189
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxybutan-1-amine
CID 104250433
1-(3,4-dihydro-2H-pyran-5-yl)octan-1-amine
CID 105033310
1-(3,4-dihydro-2H-pyran-5-yl)decan-1-amine
CID 105033319
1-(3,4-dihydro-2H-pyran-5-yl)heptan-1-amine
CID 105033322
1-(3,4-dihydro-2H-pyran-5-yl)nonan-1-amine
CID 105033452
1-(3,4-dihydro-2H-pyran-5-yl)hexan-1-amine
CID 105033469
1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxypentan-1-amine
CID 105179376

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine?
The IUPAC name of 4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine (CID 152961582) is 4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine.
What is the SMILES notation for 4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine?
The canonical SMILES for 4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine is CC1=COC(CCCCN)CC1.
What is the InChIKey of 4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine?
The InChIKey is UQRFMRHPDWMBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9-5-6-10(12-8-9)4-2-3-7-11/h8,10H,2-7,11H2,1H3.
What are the key properties of 4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine?
4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3,4-dihydro-2H-pyran-2-yl)butan-1-amine is sourced from PubChem (CID 152961582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).