4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine

C18H25NS2 — CID 63454108

IUPAC4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCCCC1CCC(NCc2cc(-c3cccs3)cs2)CC1
InChIInChI=1S/C18H25NS2/c1-2-4-14-6-8-16(9-7-14)19-12-17-11-15(13-21-17)18-5-3-10-20-18/h3,5,10-11,13-14,16,19H,2,4,6-9,12H2,1H3
InChIKeyAPCGMEQLIUKQIB-UHFFFAOYSA-N
MW319.54 g/mol
LogP5.93
Rot. Bonds6

About 4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine

4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine (PubChem CID 63454108) has the molecular formula C18H25NS2 and a molecular weight of 319.54 g/mol. Its IUPAC name is 4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine
PubChem CID63454108
Molecular FormulaC18H25NS2
Molecular Weight319.54 g/mol
Exact Mass319.14
IUPAC Name4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCCCC1CCC(NCc2cc(-c3cccs3)cs2)CC1
InChIInChI=1S/C18H25NS2/c1-2-4-14-6-8-16(9-7-14)19-12-17-11-15(13-21-17)18-5-3-10-20-18/h3,5,10-11,13-14,16,19H,2,4,6-9,12H2,1H3
InChIKeyAPCGMEQLIUKQIB-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.54
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine with MolForge

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Related Compounds

1,1-dioxo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]thian-4-amine
CID 43778670
3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103701381
2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 63278379
2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine
CID 82726555
2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 63450748
cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone
CID 56808711
5-[[(4-propylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79553308
2,6-dimethyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]piperidin-1-amine
CID 83009935
(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81390018
(6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95292850
1-(oxan-4-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 103768976
3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543900

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine (CID 63454108) is 4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine is CCCC1CCC(NCc2cc(-c3cccs3)cs2)CC1.
What is the InChIKey of 4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is APCGMEQLIUKQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS2/c1-2-4-14-6-8-16(9-7-14)19-12-17-11-15(13-21-17)18-5-3-10-20-18/h3,5,10-11,13-14,16,19H,2,4,6-9,12H2,1H3.
What are the key properties of 4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine?
4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 319.54 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63454108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).