4-methoxy-N-methyl-N-propylcyclohexan-1-amine

C11H23NO — CID 45091382

IUPAC4-methoxy-N-methyl-N-propylcyclohexan-1-amine
SMILESCCCN(C)C1CCC(OC)CC1
InChIInChI=1S/C11H23NO/c1-4-9-12(2)10-5-7-11(13-3)8-6-10/h10-11H,4-9H2,1-3H3
InChIKeyHBGMVKUVOBRUOD-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds4

About 4-methoxy-N-methyl-N-propylcyclohexan-1-amine

4-methoxy-N-methyl-N-propylcyclohexan-1-amine (PubChem CID 45091382) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-propylcyclohexan-1-amine
PubChem CID45091382
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-methoxy-N-methyl-N-propylcyclohexan-1-amine
SMILESCCCN(C)C1CCC(OC)CC1
InChIInChI=1S/C11H23NO/c1-4-9-12(2)10-5-7-11(13-3)8-6-10/h10-11H,4-9H2,1-3H3
InChIKeyHBGMVKUVOBRUOD-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-methyl-N-propylcyclohexan-1-amine (CID 45091382) is 4-methoxy-N-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-methyl-N-propylcyclohexan-1-amine is CCCN(C)C1CCC(OC)CC1.
What is the InChIKey of 4-methoxy-N-methyl-N-propylcyclohexan-1-amine?
The InChIKey is HBGMVKUVOBRUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-9-12(2)10-5-7-11(13-3)8-6-10/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-propylcyclohexan-1-amine?
4-methoxy-N-methyl-N-propylcyclohexan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 45091382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).