N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine

C16H28N2S — CID 79069778

IUPACN,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine
SMILESCCCNC(c1ccc(C)s1)C1(N(C)C)CCCC1
InChIInChI=1S/C16H28N2S/c1-5-12-17-15(14-9-8-13(2)19-14)16(18(3)4)10-6-7-11-16/h8-9,15,17H,5-7,10-12H2,1-4H3
InChIKeyMHUXZASYGQENPF-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.97
Rot. Bonds6

About N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine

N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine (PubChem CID 79069778) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine
PubChem CID79069778
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine
SMILESCCCNC(c1ccc(C)s1)C1(N(C)C)CCCC1
InChIInChI=1S/C16H28N2S/c1-5-12-17-15(14-9-8-13(2)19-14)16(18(3)4)10-6-7-11-16/h8-9,15,17H,5-7,10-12H2,1-4H3
InChIKeyMHUXZASYGQENPF-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116763483
N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 79066072
1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243796
N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070156
N-[(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116769729
N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine
CID 79988935
N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
CID 79069924
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79069851
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79080475
2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
CID 79062925
1-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102651857
1-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102647750

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine (CID 79069778) is N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine is CCCNC(c1ccc(C)s1)C1(N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine?
The InChIKey is MHUXZASYGQENPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-12-17-15(14-9-8-13(2)19-14)16(18(3)4)10-6-7-11-16/h8-9,15,17H,5-7,10-12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.97, 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-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79069778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).