2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

C12H19NOS — CID 43769336

IUPAC2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCCCC1NCc1cccs1
InChIInChI=1S/C12H19NOS/c1-14-12-7-3-2-6-11(12)13-9-10-5-4-8-15-10/h4-5,8,11-13H,2-3,6-7,9H2,1H3
InChIKeyNWFFSVBJTOIQGG-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.80
Rot. Bonds4

About 2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (PubChem CID 43769336) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
PubChem CID43769336
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESCOC1CCCCC1NCc1cccs1
InChIInChI=1S/C12H19NOS/c1-14-12-7-3-2-6-11(12)13-9-10-5-4-8-15-10/h4-5,8,11-13H,2-3,6-7,9H2,1H3
InChIKeyNWFFSVBJTOIQGG-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (CID 43769336) is 2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is COC1CCCCC1NCc1cccs1.
What is the InChIKey of 2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is NWFFSVBJTOIQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-14-12-7-3-2-6-11(12)13-9-10-5-4-8-15-10/h4-5,8,11-13H,2-3,6-7,9H2,1H3.
What are the key properties of 2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43769336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).