N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine

C18H27NS — CID 63476797

IUPACN-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCC(NC1CCSc2ccccc21)C1CCCCC1
InChIInChI=1S/C18H27NS/c1-2-16(14-8-4-3-5-9-14)19-17-12-13-20-18-11-7-6-10-15(17)18/h6-7,10-11,14,16-17,19H,2-5,8-9,12-13H2,1H3
InChIKeyNEKCVQQXPVIFMX-UHFFFAOYSA-N
MW289.49 g/mol
LogP5.17
Rot. Bonds4

About N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine

N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 63476797) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID63476797
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC NameN-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCC(NC1CCSc2ccccc21)C1CCCCC1
InChIInChI=1S/C18H27NS/c1-2-16(14-8-4-3-5-9-14)19-17-12-13-20-18-11-7-6-10-15(17)18/h6-7,10-11,14,16-17,19H,2-5,8-9,12-13H2,1H3
InChIKeyNEKCVQQXPVIFMX-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 79008955
N-(5-methylheptan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740223
N-(1-ethylsulfonylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115889817
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
CID 103788965
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43740209
N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103777436
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 79024984
2-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476759
(3S)-3-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]butanamide
CID 40953266
N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740196
1-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94027112
N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82797825

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 63476797) is N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine is CCC(NC1CCSc2ccccc21)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is NEKCVQQXPVIFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-2-16(14-8-4-3-5-9-14)19-17-12-13-20-18-11-7-6-10-15(17)18/h6-7,10-11,14,16-17,19H,2-5,8-9,12-13H2,1H3.
What are the key properties of N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 289.49 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 63476797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).