N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

C17H25NS — CID 63453791

IUPACN-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CCCCC1CNC1CCSc2ccccc21
InChIInChI=1S/C17H25NS/c1-13-6-2-3-7-14(13)12-18-16-10-11-19-17-9-5-4-8-15(16)17/h4-5,8-9,13-14,16,18H,2-3,6-7,10-12H2,1H3
InChIKeyHMCNAIMDXXQOEL-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.64
Rot. Bonds3

About N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 63453791) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID63453791
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC NameN-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CCCCC1CNC1CCSc2ccccc21
InChIInChI=1S/C17H25NS/c1-13-6-2-3-7-14(13)12-18-16-10-11-19-17-9-5-4-8-15(16)17/h4-5,8-9,13-14,16,18H,2-3,6-7,10-12H2,1H3
InChIKeyHMCNAIMDXXQOEL-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine
CID 83006635
N-[(2,3-dimethylphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 60657819
N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 54906970
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103775877
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 54907300
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43178084
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-methylpropanenitrile
CID 60658495
N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740196
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 105415014
[2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol
CID 113262116

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 63453791) is N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is CC1CCCCC1CNC1CCSc2ccccc21.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is HMCNAIMDXXQOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-13-6-2-3-7-14(13)12-18-16-10-11-19-17-9-5-4-8-15(16)17/h4-5,8-9,13-14,16,18H,2-3,6-7,10-12H2,1H3.
What are the key properties of N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 275.46 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 63453791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).