cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine

C17H25NO — CID 114745566

IUPACcycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1cccc2c1OCCC2)C1CCCCCC1
InChIInChI=1S/C17H25NO/c18-16(13-7-3-1-2-4-8-13)15-11-5-9-14-10-6-12-19-17(14)15/h5,9,11,13,16H,1-4,6-8,10,12,18H2
InChIKeyKKFOZQJGLOFEKD-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.98
Rot. Bonds2

About cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine

cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine (PubChem CID 114745566) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine.

Molecular Properties

Compound Namecycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
PubChem CID114745566
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Namecycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1cccc2c1OCCC2)C1CCCCCC1
InChIInChI=1S/C17H25NO/c18-16(13-7-3-1-2-4-8-13)15-11-5-9-14-10-6-12-19-17(14)15/h5,9,11,13,16H,1-4,6-8,10,12,18H2
InChIKeyKKFOZQJGLOFEKD-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine
CID 114745561
[cyclohexyl(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
CID 105201959
cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105079651
3,4-dihydro-2H-chromen-8-yl-(1,1-dioxothian-2-yl)methanamine
CID 105049108
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine
CID 105049301
2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine
CID 114745190
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745496
[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105232138
[cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105201988
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105049243
2,3-dihydro-1-benzothiophen-3-yl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187280

Frequently Asked Questions

What is the IUPAC name of cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine?
The IUPAC name of cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine (CID 114745566) is cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine.
What is the SMILES notation for cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine?
The canonical SMILES for cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine is NC(c1cccc2c1OCCC2)C1CCCCCC1.
What is the InChIKey of cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine?
The InChIKey is KKFOZQJGLOFEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-16(13-7-3-1-2-4-8-13)15-11-5-9-14-10-6-12-19-17(14)15/h5,9,11,13,16H,1-4,6-8,10,12,18H2.
What are the key properties of cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine?
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine is sourced from PubChem (CID 114745566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).