(3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine

C10H23NO — CID 143550229

IUPAC(3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine
SMILESCC[C@H](CCOC)[C@H](C)CCN
InChIInChI=1S/C10H23NO/c1-4-10(6-8-12-3)9(2)5-7-11/h9-10H,4-8,11H2,1-3H3/t9-,10-/m1/s1
InChIKeyGMKKEPIAINWEQW-NXEZZACHSA-N
MW173.30 g/mol
LogP2.03
Rot. Bonds7

About (3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine

(3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine (PubChem CID 143550229) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine.

Molecular Properties

Compound Name(3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine
PubChem CID143550229
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine
SMILESCC[C@H](CCOC)[C@H](C)CCN
InChIInChI=1S/C10H23NO/c1-4-10(6-8-12-3)9(2)5-7-11/h9-10H,4-8,11H2,1-3H3/t9-,10-/m1/s1
InChIKeyGMKKEPIAINWEQW-NXEZZACHSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-3-methylheptan-1-amine
CID 143231179
3-ethyl-4-methylhexan-1-amine
CID 123538643
3-ethyl-5-methoxypentan-2-amine
CID 61000817
3-ethyl-2-methylpentane-1,5-diamine
CID 88540021
3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine
CID 163603842
(5-ethyl-1-methoxy-3-methylheptan-4-yl)hydrazine
CID 105337856
3-(2-methoxyethoxy)pentan-1-amine
CID 43428406
(1-methoxy-4-methylhexan-3-yl)hydrazine
CID 105206462
4-methoxybutyl 2-(2-aminoethyl)-3-methylpentanoate
CID 178056368
1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane
CID 158816620
(4R)-3-ethyl-4-methylhexane
CID 59954491
1-methoxy-3,6-dimethyloctan-4-amine
CID 105044592

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine?
The IUPAC name of (3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine (CID 143550229) is (3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine.
What is the SMILES notation for (3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine?
The canonical SMILES for (3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine is CC[C@H](CCOC)[C@H](C)CCN.
What is the InChIKey of (3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine?
The InChIKey is GMKKEPIAINWEQW-NXEZZACHSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-10(6-8-12-3)9(2)5-7-11/h9-10H,4-8,11H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine?
(3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine is sourced from PubChem (CID 143550229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).