1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine

C17H25NO — CID 114743921

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)c1cccc2c1OCCC2
InChIInChI=1S/C17H25NO/c1-16(2)10-3-4-11-17(16,18)14-9-5-7-13-8-6-12-19-15(13)14/h5,7,9H,3-4,6,8,10-12,18H2,1-2H3
InChIKeyRTZLSNKZULWLQB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.77
Rot. Bonds1

About 1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine

1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 114743921) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine
PubChem CID114743921
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)c1cccc2c1OCCC2
InChIInChI=1S/C17H25NO/c1-16(2)10-3-4-11-17(16,18)14-9-5-7-13-8-6-12-19-15(13)14/h5,7,9H,3-4,6,8,10-12,18H2,1-2H3
InChIKeyRTZLSNKZULWLQB-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine
CID 114743920
1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol
CID 114743453
3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol
CID 114743211
1-(3,4-dihydro-2H-chromen-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 114743136
4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol
CID 114743663
2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine
CID 114743807
4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol
CID 114743718
3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine
CID 114745561
1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol
CID 114747423
4-(3,4-dihydro-2H-chromen-8-yl)-1-ethylazepan-4-ol
CID 114743484
3,4-dihydro-2H-chromene-8-thiol
CID 123990330
1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114747898

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine (CID 114743921) is 1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1(N)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is RTZLSNKZULWLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2)10-3-4-11-17(16,18)14-9-5-7-13-8-6-12-19-15(13)14/h5,7,9H,3-4,6,8,10-12,18H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.77, 1 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-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 114743921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).