N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine

C18H31NS — CID 65424402

IUPACN-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H31NS/c1-4-11-19-18(13-17-6-5-12-20-17)16-9-7-15(8-10-16)14(2)3/h5-6,12,14-16,18-19H,4,7-11,13H2,1-3H3
InChIKeyPZYZGXJIDIJGEJ-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.12
Rot. Bonds7

About N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine

N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine (PubChem CID 65424402) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine
PubChem CID65424402
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H31NS/c1-4-11-19-18(13-17-6-5-12-20-17)16-9-7-15(8-10-16)14(2)3/h5-6,12,14-16,18-19H,4,7-11,13H2,1-3H3
InChIKeyPZYZGXJIDIJGEJ-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine with MolForge

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Related Compounds

N-(1-cyclopentyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61064990
N-(1-cyclohexyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61066233
N-[1-(3-methylcyclopentyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65412770
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65412104
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine
CID 65424583
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 65389654
N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine
CID 64650951
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
N-[1-(4-propan-2-ylmorpholin-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 79664970
1-cyclohexyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 55234964

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine (CID 65424402) is N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine is CCCNC(Cc1cccs1)C1CCC(C(C)C)CC1.
What is the InChIKey of N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is PZYZGXJIDIJGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-4-11-19-18(13-17-6-5-12-20-17)16-9-7-15(8-10-16)14(2)3/h5-6,12,14-16,18-19H,4,7-11,13H2,1-3H3.
What are the key properties of N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine?
N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 293.52 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 65424402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).