3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine

C19H29NO — CID 105049036

IUPAC3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine
SMILESCNC(CCC1CCCCC1)c1cccc2c1OCCC2
InChIInChI=1S/C19H29NO/c1-20-18(13-12-15-7-3-2-4-8-15)17-11-5-9-16-10-6-14-21-19(16)17/h5,9,11,15,18,20H,2-4,6-8,10,12-14H2,1H3
InChIKeyBTILFCRKWAQDCK-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.63
Rot. Bonds5

About 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine

3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine (PubChem CID 105049036) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine
PubChem CID105049036
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine
SMILESCNC(CCC1CCCCC1)c1cccc2c1OCCC2
InChIInChI=1S/C19H29NO/c1-20-18(13-12-15-7-3-2-4-8-15)17-11-5-9-16-10-6-14-21-19(16)17/h5,9,11,15,18,20H,2-4,6-8,10,12-14H2,1H3
InChIKeyBTILFCRKWAQDCK-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
1-(3,4-dihydro-2H-chromen-8-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547239
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114745216
[2-cycloheptyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethyl]hydrazine
CID 105341787
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745490
2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine
CID 114744945
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 114745237
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
CID 114745059
[1-(3,4-dihydro-2H-chromen-8-yl)-2-methylsulfanylethyl]hydrazine
CID 105214067
[cyclohexyl(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
CID 105201959
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine (CID 105049036) is 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine is CNC(CCC1CCCCC1)c1cccc2c1OCCC2.
What is the InChIKey of 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine?
The InChIKey is BTILFCRKWAQDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-20-18(13-12-15-7-3-2-4-8-15)17-11-5-9-16-10-6-14-21-19(16)17/h5,9,11,15,18,20H,2-4,6-8,10,12-14H2,1H3.
What are the key properties of 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine?
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 105049036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).