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'}

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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).