N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine

C17H30N2S — CID 79988935

IUPACN,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine
SMILESCCCNC(c1sccc1C)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H30N2S/c1-5-12-18-16(15-14(2)9-13-20-15)17(19(3)4)10-7-6-8-11-17/h9,13,16,18H,5-8,10-12H2,1-4H3
InChIKeyJYLBPXIYHMDVEZ-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.36
Rot. Bonds6

About N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine

N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine (PubChem CID 79988935) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine
PubChem CID79988935
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine
SMILESCCCNC(c1sccc1C)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H30N2S/c1-5-12-18-16(15-14(2)9-13-20-15)17(19(3)4)10-7-6-8-11-17/h9,13,16,18H,5-8,10-12H2,1-4H3
InChIKeyJYLBPXIYHMDVEZ-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116770493
1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79988703
N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine
CID 79069778
N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116766820
N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070156
N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
CID 79069924
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79080475
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79069851
N-[(2,2-dimethylcyclopentyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 107177676
1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106653712
N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine
CID 79445008
1-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102651857

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine (CID 79988935) is N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine is CCCNC(c1sccc1C)C1(N(C)C)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine?
The InChIKey is JYLBPXIYHMDVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-12-18-16(15-14(2)9-13-20-15)17(19(3)4)10-7-6-8-11-17/h9,13,16,18H,5-8,10-12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79988935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).