(4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine

C11H25NO — CID 118890168

IUPAC(4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine
SMILESCC[C@H](CCCN(C)C)CCOC
InChIInChI=1S/C11H25NO/c1-5-11(8-10-13-4)7-6-9-12(2)3/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyMHPSNIQJQWAUDX-LLVKDONJSA-N
MW187.33 g/mol
LogP2.39
Rot. Bonds8

About (4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine

(4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine (PubChem CID 118890168) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine.

Molecular Properties

Compound Name(4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine
PubChem CID118890168
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine
SMILESCC[C@H](CCCN(C)C)CCOC
InChIInChI=1S/C11H25NO/c1-5-11(8-10-13-4)7-6-9-12(2)3/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyMHPSNIQJQWAUDX-LLVKDONJSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine?
The IUPAC name of (4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine (CID 118890168) is (4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine.
What is the SMILES notation for (4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine?
The canonical SMILES for (4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine is CC[C@H](CCCN(C)C)CCOC.
What is the InChIKey of (4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine?
The InChIKey is MHPSNIQJQWAUDX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-11(8-10-13-4)7-6-9-12(2)3/h11H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of (4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine?
(4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-6-methoxy-N,N-dimethylhexan-1-amine is sourced from PubChem (CID 118890168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).