N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine

C19H31NS — CID 115862567

IUPACN-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1cc2c(s1)CCC2)C1CCCCC1CC
InChIInChI=1S/C19H31NS/c1-3-12-20-19(16-10-6-5-8-14(16)4-2)18-13-15-9-7-11-17(15)21-18/h13-14,16,19-20H,3-12H2,1-2H3
InChIKeySXMBXHSHIPGVSB-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.49
Rot. Bonds6

About N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine

N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 115862567) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID115862567
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1cc2c(s1)CCC2)C1CCCCC1CC
InChIInChI=1S/C19H31NS/c1-3-12-20-19(16-10-6-5-8-14(16)4-2)18-13-15-9-7-11-17(15)21-18/h13-14,16,19-20H,3-12H2,1-2H3
InChIKeySXMBXHSHIPGVSB-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115862831
N-[cyclohexyl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 114981660
N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 115778778
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxyethyl]propan-1-amine
CID 105008789
N-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 115780103
N-[(4-chlorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 43494735
N-[(3-bromofuran-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 115861372
N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 79515623
3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 105028115
N-[cyclopenten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 63506305
N-[(5-bromo-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 105011777
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine
CID 115827907

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine (CID 115862567) is N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine is CCCNC(c1cc2c(s1)CCC2)C1CCCCC1CC.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is SXMBXHSHIPGVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-3-12-20-19(16-10-6-5-8-14(16)4-2)18-13-15-9-7-11-17(15)21-18/h13-14,16,19-20H,3-12H2,1-2H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine?
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 305.53 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 115862567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).