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

C15H25NOS — CID 43789450

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1cc(C)sc1C
InChIInChI=1S/C15H25NOS/c1-10-9-13(12(3)18-10)11(2)16-14-7-5-6-8-15(14)17-4/h9,11,14-16H,5-8H2,1-4H3
InChIKeyKQOKLMAXSADZLC-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.97
Rot. Bonds4

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

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 43789450) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID43789450
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1cc(C)sc1C
InChIInChI=1S/C15H25NOS/c1-10-9-13(12(3)18-10)11(2)16-14-7-5-6-8-15(14)17-4/h9,11,14-16H,5-8H2,1-4H3
InChIKeyKQOKLMAXSADZLC-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43435223
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CID 55259529
CID 55259529
CID 61501488
CID 61501488
CID 61553553
CID 61553553
CID 63902098
CID 63902098
CID 63992867
CID 63992867
CID 63993286
CID 63993286
CID 64408995
CID 64408995
CID 65243768
CID 65243768

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine (CID 43789450) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NC(C)c1cc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine?
The InChIKey is KQOKLMAXSADZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-10-9-13(12(3)18-10)11(2)16-14-7-5-6-8-15(14)17-4/h9,11,14-16H,5-8H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 43789450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).