N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine

C19H33NS — CID 81034508

IUPACN-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(Cc2ccc(CC)s2)C1
InChIInChI=1S/C19H33NS/c1-4-7-15-8-9-16(14-20-6-3)17(12-15)13-19-11-10-18(5-2)21-19/h10-11,15-17,20H,4-9,12-14H2,1-3H3
InChIKeyQZBKXQYUNUNWNC-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.30
Rot. Bonds8

About N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine

N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine (PubChem CID 81034508) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
PubChem CID81034508
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC NameN-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
SMILESCCCC1CCC(CNCC)C(Cc2ccc(CC)s2)C1
InChIInChI=1S/C19H33NS/c1-4-7-15-8-9-16(14-20-6-3)17(12-15)13-19-11-10-18(5-2)21-19/h10-11,15-17,20H,4-9,12-14H2,1-3H3
InChIKeyQZBKXQYUNUNWNC-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026091
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016974
[4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81011445
N-[[2-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034653
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033829
2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 63461626
N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine
CID 103020129
N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
CID 82935925
N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029529
2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81025989
2-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403813

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine (CID 81034508) is N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine is CCCC1CCC(CNCC)C(Cc2ccc(CC)s2)C1.
What is the InChIKey of N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine?
The InChIKey is QZBKXQYUNUNWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-4-7-15-8-9-16(14-20-6-3)17(12-15)13-19-11-10-18(5-2)21-19/h10-11,15-17,20H,4-9,12-14H2,1-3H3.
What are the key properties of N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine?
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine has a molecular weight of 307.55 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81034508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).