N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine

C16H25NS — CID 102833821

IUPACN-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)c1ccsc1C
InChIInChI=1S/C16H25NS/c1-3-10-17-16(15-9-11-18-13(15)2)12-14-7-5-4-6-8-14/h7,9,11,16-17H,3-6,8,10,12H2,1-2H3
InChIKeyDICNKSSQLARGDA-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.99
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine

N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine (PubChem CID 102833821) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
PubChem CID102833821
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)c1ccsc1C
InChIInChI=1S/C16H25NS/c1-3-10-17-16(15-9-11-18-13(15)2)12-14-7-5-4-6-8-14/h7,9,11,16-17H,3-6,8,10,12H2,1-2H3
InChIKeyDICNKSSQLARGDA-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 116662088
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine
CID 116662156
N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 116662158
N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 116662001
3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
CID 102841960
1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine
CID 107360185
3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102840731
N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 116662180
1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
CID 116662141
N-[2-(cyclohexen-1-yl)-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 116662144
2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 116661737

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine (CID 102833821) is N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine is CCCNC(CC1=CCCCC1)c1ccsc1C.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine?
The InChIKey is DICNKSSQLARGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-3-10-17-16(15-9-11-18-13(15)2)12-14-7-5-4-6-8-14/h7,9,11,16-17H,3-6,8,10,12H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine?
N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102833821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).