(2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine

C9H21NO — CID 89339327

IUPAC(2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine
SMILESCC[C@@H](C)C(NC)[C@@H](C)OC
InChIInChI=1S/C9H21NO/c1-6-7(2)9(10-4)8(3)11-5/h7-10H,6H2,1-5H3/t7-,8-,9?/m1/s1
InChIKeySLWSGGZGOUJSKX-ZAZKALAHSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds5

About (2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine

(2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine (PubChem CID 89339327) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine.

Molecular Properties

Compound Name(2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine
PubChem CID89339327
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine
SMILESCC[C@@H](C)C(NC)[C@@H](C)OC
InChIInChI=1S/C9H21NO/c1-6-7(2)9(10-4)8(3)11-5/h7-10H,6H2,1-5H3/t7-,8-,9?/m1/s1
InChIKeySLWSGGZGOUJSKX-ZAZKALAHSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,3,5-tetramethylheptan-4-amine
CID 105017383
5-ethyl-3-methoxy-N,2-dimethylheptan-4-amine
CID 116720118
(2R,3R)-3-bromo-2-methoxypentane
CID 6430987
(2S)-3-methoxy-N-methylbutan-2-amine
CID 122536218
triethyl(1-methoxyethyl)phosphanium
CID 23415371
N-ethyl-3-methoxy-5-methylheptan-4-amine
CID 116715826
N,4-dimethylhexan-3-amine
CID 63559808
N-ethyl-3,5-dimethylheptan-4-amine
CID 79446924
tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate;hydrochloride
CID 14730240
butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate;hydrochloride
CID 162120972
N-butan-2-yl-3-methoxybutan-2-amine
CID 115705720
2-methoxy-3,6-dimethyloctane
CID 91203473

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine?
The IUPAC name of (2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine (CID 89339327) is (2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine.
What is the SMILES notation for (2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine?
The canonical SMILES for (2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine is CC[C@@H](C)C(NC)[C@@H](C)OC.
What is the InChIKey of (2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine?
The InChIKey is SLWSGGZGOUJSKX-ZAZKALAHSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-7(2)9(10-4)8(3)11-5/h7-10H,6H2,1-5H3/t7-,8-,9?/m1/s1.
What are the key properties of (2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine?
(2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine is sourced from PubChem (CID 89339327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).