7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine

C13H21NO — CID 102649433

IUPAC7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)C1C2CCCCC21
InChIInChI=1S/C13H21NO/c14-13(11-7-3-4-8-15-11)12-9-5-1-2-6-10(9)12/h7,9-10,12-13H,1-6,8,14H2
InChIKeyXAKRSUZHTOFHQC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.44
Rot. Bonds2

About 7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine

7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine (PubChem CID 102649433) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine
PubChem CID102649433
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)C1C2CCCCC21
InChIInChI=1S/C13H21NO/c14-13(11-7-3-4-8-15-11)12-9-5-1-2-6-10(9)12/h7,9-10,12-13H,1-6,8,14H2
InChIKeyXAKRSUZHTOFHQC-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649495
3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 113720519
3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 113720576
cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647140
1-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647213
cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647236
3,4-dihydro-2H-pyran-6-yl-(3-methylcyclohexyl)methanamine
CID 102647310
3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methanamine
CID 102647314
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 102647315
3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanamine
CID 102647577
1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 102647578

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine (CID 102649433) is 7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine is NC(C1=CCCCO1)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The InChIKey is XAKRSUZHTOFHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c14-13(11-7-3-4-8-15-11)12-9-5-1-2-6-10(9)12/h7,9-10,12-13H,1-6,8,14H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl(3,4-dihydro-2H-pyran-6-yl)methanamine is sourced from PubChem (CID 102649433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).