N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

C17H29NOS — CID 116766820

IUPACN-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1C)C1(OC)CCC(C)CC1
InChIInChI=1S/C17H29NOS/c1-5-11-18-16(15-14(3)8-12-20-15)17(19-4)9-6-13(2)7-10-17/h8,12-13,16,18H,5-7,9-11H2,1-4H3
InChIKeyORMOLDZZWMAKMS-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.69
Rot. Bonds6

About N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 116766820) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID116766820
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1C)C1(OC)CCC(C)CC1
InChIInChI=1S/C17H29NOS/c1-5-11-18-16(15-14(3)8-12-20-15)17(19-4)9-6-13(2)7-10-17/h8,12-13,16,18H,5-7,9-11H2,1-4H3
InChIKeyORMOLDZZWMAKMS-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116770493
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 116767194
N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine
CID 79988935
N-[(3-bromothiophen-2-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765142
1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine
CID 116766773
N-[(2,2-dimethylcyclopentyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 107177676
N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116766612
N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116767394
N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116766686
N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115863501
N-[(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116769729
N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116763483

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (CID 116766820) is N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sccc1C)C1(OC)CCC(C)CC1.
What is the InChIKey of N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is ORMOLDZZWMAKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-5-11-18-16(15-14(3)8-12-20-15)17(19-4)9-6-13(2)7-10-17/h8,12-13,16,18H,5-7,9-11H2,1-4H3.
What are the key properties of N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 295.49 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 116766820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).