(3S)-2-ethoxy-2-methylhexan-3-amine

C9H21NO — CID 104932360

IUPAC(3S)-2-ethoxy-2-methylhexan-3-amine
SMILESCCC[C@H](N)C(C)(C)OCC
InChIInChI=1S/C9H21NO/c1-5-7-8(10)9(3,4)11-6-2/h8H,5-7,10H2,1-4H3/t8-/m0/s1
InChIKeyIBWXKZNQNUZQOU-QMMMGPOBSA-N
MW159.27 g/mol
LogP1.93
Rot. Bonds5

About (3S)-2-ethoxy-2-methylhexan-3-amine

(3S)-2-ethoxy-2-methylhexan-3-amine (PubChem CID 104932360) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (3S)-2-ethoxy-2-methylhexan-3-amine.

Molecular Properties

Compound Name(3S)-2-ethoxy-2-methylhexan-3-amine
PubChem CID104932360
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(3S)-2-ethoxy-2-methylhexan-3-amine
SMILESCCC[C@H](N)C(C)(C)OCC
InChIInChI=1S/C9H21NO/c1-5-7-8(10)9(3,4)11-6-2/h8H,5-7,10H2,1-4H3/t8-/m0/s1
InChIKeyIBWXKZNQNUZQOU-QMMMGPOBSA-N
XLogP1.93
TPSA35.25 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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-2-methylundecan-3-amine
CID 116726130
3-ethoxy-3-methylheptan-4-amine
CID 116758519
1,3-diethoxy-3-methylbutan-2-amine
CID 116726159
2-ethoxy-2-methyl-6-phenylhexan-3-amine
CID 116726300
(3-amino-2-methylhexan-2-yl) hydrogen sulfate
CID 151799354
2,2,3-trimethylheptane-3,4-diamine
CID 23202047
1-(4-chlorophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726294
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
2-ethoxy-2,5-dimethylhex-4-en-3-amine
CID 116726324
(2-ethoxy-2-methyldodecan-3-yl)hydrazine
CID 105274061
3-chloro-3-ethylheptan-4-amine
CID 174496407

Frequently Asked Questions

What is the IUPAC name of (3S)-2-ethoxy-2-methylhexan-3-amine?
The IUPAC name of (3S)-2-ethoxy-2-methylhexan-3-amine (CID 104932360) is (3S)-2-ethoxy-2-methylhexan-3-amine.
What is the SMILES notation for (3S)-2-ethoxy-2-methylhexan-3-amine?
The canonical SMILES for (3S)-2-ethoxy-2-methylhexan-3-amine is CCC[C@H](N)C(C)(C)OCC.
What is the InChIKey of (3S)-2-ethoxy-2-methylhexan-3-amine?
The InChIKey is IBWXKZNQNUZQOU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-7-8(10)9(3,4)11-6-2/h8H,5-7,10H2,1-4H3/t8-/m0/s1.
What are the key properties of (3S)-2-ethoxy-2-methylhexan-3-amine?
(3S)-2-ethoxy-2-methylhexan-3-amine has a molecular weight of 159.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-ethoxy-2-methylhexan-3-amine is sourced from PubChem (CID 104932360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).