cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine

C10H17NO — CID 102647501

IUPACcyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCC1
InChIInChI=1S/C10H17NO/c11-10(8-4-3-5-8)9-6-1-2-7-12-9/h6,8,10H,1-5,7,11H2
InChIKeyIITHMEWCHXKECM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.81
Rot. Bonds2

About cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine

cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine (PubChem CID 102647501) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine.

Molecular Properties

Compound Namecyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine
PubChem CID102647501
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Namecyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCC1
InChIInChI=1S/C10H17NO/c11-10(8-4-3-5-8)9-6-1-2-7-12-9/h6,8,10H,1-5,7,11H2
InChIKeyIITHMEWCHXKECM-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine
CID 102647130
cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647140
cyclopropyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647142
cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647236
1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine
CID 102647276
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-amine
CID 102647444
1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647502
N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647503
N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647504
3,4-dihydro-2H-pyran-6-yl(oxan-3-yl)methanamine
CID 102647565
cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647585
3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopropyl)methanamine
CID 102647623

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The IUPAC name of cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine (CID 102647501) is cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine.
What is the SMILES notation for cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The canonical SMILES for cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine is NC(C1=CCCCO1)C1CCC1.
What is the InChIKey of cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The InChIKey is IITHMEWCHXKECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-10(8-4-3-5-8)9-6-1-2-7-12-9/h6,8,10H,1-5,7,11H2.
What are the key properties of cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine has a molecular weight of 167.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine is sourced from PubChem (CID 102647501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).