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

C9H17NO — CID 102647141

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine
SMILESCCCC(N)C1=CCCCO1
InChIInChI=1S/C9H17NO/c1-2-5-8(10)9-6-3-4-7-11-9/h6,8H,2-5,7,10H2,1H3
InChIKeyVWEVXNYYPPASOZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.81
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine (PubChem CID 102647141) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine
PubChem CID102647141
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine
SMILESCCCC(N)C1=CCCCO1
InChIInChI=1S/C9H17NO/c1-2-5-8(10)9-6-3-4-7-11-9/h6,8H,2-5,7,10H2,1H3
InChIKeyVWEVXNYYPPASOZ-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3H-phentolamine
CID 20028870
(Z)-5,5-difluoro-3-propan-2-yloxyhept-2-en-4-amine
CID 142810124
ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080456
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine
CID 102647826
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 102647827
(Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine
CID 143076621
3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080457
(3R)-6-(aminomethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine
CID 60076819
(2R,3R)-2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 60076848
(4R,5Z)-5-methoxynona-1,5-dien-4-amine
CID 88260651
(Z)-6-methoxyoct-6-ene-1,5-diamine
CID 88874149
(1R)-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017389

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine (CID 102647141) is 1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine is CCCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine?
The InChIKey is VWEVXNYYPPASOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-5-8(10)9-6-3-4-7-11-9/h6,8H,2-5,7,10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.81, 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-6-yl)butan-1-amine is sourced from PubChem (CID 102647141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).