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

C11H21NO — CID 102647276

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-9(2)6-7-10(12)11-5-3-4-8-13-11/h5,9-10H,3-4,6-8,12H2,1-2H3
InChIKeyIMSHYTZQKOHACG-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.44
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine (PubChem CID 102647276) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine
PubChem CID102647276
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-9(2)6-7-10(12)11-5-3-4-8-13-11/h5,9-10H,3-4,6-8,12H2,1-2H3
InChIKeyIMSHYTZQKOHACG-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-6-methoxyoct-6-ene-1,5-diamine
CID 88874149
(1R)-2-methyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89073393
2-Methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
CID 91088098
1-Butoxy-3-cyclohexa-2,4-dien-1-ylpropan-2-amine
CID 144158382
2-(2-Ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine
CID 155396948
2-(Hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine
CID 166688985
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine
CID 102647130
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine
CID 102647132
cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647140
1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine
CID 102647141
cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647142
1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine
CID 102647186

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine (CID 102647276) is 1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine is CC(C)CCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine?
The InChIKey is IMSHYTZQKOHACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)6-7-10(12)11-5-3-4-8-13-11/h5,9-10H,3-4,6-8,12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.44, 4 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-6-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 102647276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).