N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine

C19H33NS — CID 65303510

IUPACN-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine
SMILESCCCNCCC1(CCc2cc(C)sc2C)CCCCC1
InChIInChI=1S/C19H33NS/c1-4-13-20-14-12-19(9-6-5-7-10-19)11-8-18-15-16(2)21-17(18)3/h15,20H,4-14H2,1-3H3
InChIKeyMKRHZAKKALZZLJ-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.64
Rot. Bonds8

About N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine

N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine (PubChem CID 65303510) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine
PubChem CID65303510
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC NameN-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine
SMILESCCCNCCC1(CCc2cc(C)sc2C)CCCCC1
InChIInChI=1S/C19H33NS/c1-4-13-20-14-12-19(9-6-5-7-10-19)11-8-18-15-16(2)21-17(18)3/h15,20H,4-14H2,1-3H3
InChIKeyMKRHZAKKALZZLJ-UHFFFAOYSA-N
XLogP5.64
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 ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine 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

2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303461
N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 64865985
N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine
CID 65304934
N-[2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine
CID 102765265
N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine
CID 65303941
2-[1-[2-(5-bromo-4-methylthiophen-2-yl)ethyl]cyclopentyl]-N-ethylethanamine
CID 79991176
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
CID 65303868
[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol
CID 62521865
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 54976929
N-[2-(2,5-dimethylthiophen-3-yl)ethyl]-2-methylbutan-1-amine
CID 115887531
N-methyl-2-[1-[2-(4-propylphenyl)ethyl]cyclohexyl]ethanamine
CID 65303003

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine (CID 65303510) is N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine is CCCNCCC1(CCc2cc(C)sc2C)CCCCC1.
What is the InChIKey of N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine?
The InChIKey is MKRHZAKKALZZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-4-13-20-14-12-19(9-6-5-7-10-19)11-8-18-15-16(2)21-17(18)3/h15,20H,4-14H2,1-3H3.
What are the key properties of N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine?
N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine has a molecular weight of 307.55 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexyl]ethyl]propan-1-amine is sourced from PubChem (CID 65303510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).