N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine

C19H29NS — CID 43784400

IUPACN-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCC1CCC(C(C)C)C(NC2CSCc3ccccc32)C1
InChIInChI=1S/C19H29NS/c1-13(2)16-9-8-14(3)10-18(16)20-19-12-21-11-15-6-4-5-7-17(15)19/h4-7,13-14,16,18-20H,8-12H2,1-3H3
InChIKeyWCHKAUFRYKFPEU-UHFFFAOYSA-N
MW303.51 g/mol
LogP5.02
Rot. Bonds3

About N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine

N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 43784400) has the molecular formula C19H29NS and a molecular weight of 303.51 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID43784400
Molecular FormulaC19H29NS
Molecular Weight303.51 g/mol
Exact Mass303.20
IUPAC NameN-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCC1CCC(C(C)C)C(NC2CSCc3ccccc32)C1
InChIInChI=1S/C19H29NS/c1-13(2)16-9-8-14(3)10-18(16)20-19-12-21-11-15-6-4-5-7-17(15)19/h4-7,13-14,16,18-20H,8-12H2,1-3H3
InChIKeyWCHKAUFRYKFPEU-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylcyclobutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115892439
N-(3-ethylpentan-2-yl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 63842626
(3R)-3-[[(4R)-3,4-dihydro-1H-isothiochromen-4-yl]amino]-1-propan-2-ylpyrrolidin-2-one
CID 97074573
N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 103787304
N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 113261445
N-(3,4-dihydro-1H-isothiochromen-4-yl)oxan-4-amine
CID 43778576
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66761938
N-(2-ethylbutyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 115718050
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
1-N-(3,4-dihydro-1H-isothiochromen-4-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43769959
5-methyl-2-propan-2-yl-N-(3-propan-2-ylcyclobutyl)cyclohexan-1-amine
CID 103561293
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine (CID 43784400) is N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine is CC1CCC(C(C)C)C(NC2CSCc3ccccc32)C1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is WCHKAUFRYKFPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-13(2)16-9-8-14(3)10-18(16)20-19-12-21-11-15-6-4-5-7-17(15)19/h4-7,13-14,16,18-20H,8-12H2,1-3H3.
What are the key properties of N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine?
N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 303.51 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 43784400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).