(3S)-4-ethoxy-5,5-dimethylhexan-3-amine

C10H23NO — CID 104932287

IUPAC(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
SMILESCCOC([C@@H](N)CC)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-6-8(11)9(12-7-2)10(3,4)5/h8-9H,6-7,11H2,1-5H3/t8-,9?/m0/s1
InChIKeyNWYKVBUICAGKOE-IENPIDJESA-N
MW173.30 g/mol
LogP2.17
Rot. Bonds4

About (3S)-4-ethoxy-5,5-dimethylhexan-3-amine

(3S)-4-ethoxy-5,5-dimethylhexan-3-amine (PubChem CID 104932287) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (3S)-4-ethoxy-5,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
PubChem CID104932287
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
SMILESCCOC([C@@H](N)CC)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-6-8(11)9(12-7-2)10(3,4)5/h8-9H,6-7,11H2,1-5H3/t8-,9?/m0/s1
InChIKeyNWYKVBUICAGKOE-IENPIDJESA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2,2,7-trimethyloctan-4-amine
CID 116725152
(3S)-4-methoxy-5,5-dimethylhexan-3-amine
CID 104932286
3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine
CID 116725378
3-ethoxy-2,2,5-trimethylheptan-4-amine
CID 116725356
1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725277
1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725191
4-amino-2,2-dimethylhexan-3-ol
CID 12801394
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
3-ethoxy-2,2-dimethyloctan-4-ol
CID 116713329
3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 116725273
4-(4-tert-butylphenoxy)-5,5-dimethylhexan-3-amine
CID 63458446
3-ethoxy-2,2-dimethyldecan-4-ol
CID 116713288

Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethoxy-5,5-dimethylhexan-3-amine?
The IUPAC name of (3S)-4-ethoxy-5,5-dimethylhexan-3-amine (CID 104932287) is (3S)-4-ethoxy-5,5-dimethylhexan-3-amine.
What is the SMILES notation for (3S)-4-ethoxy-5,5-dimethylhexan-3-amine?
The canonical SMILES for (3S)-4-ethoxy-5,5-dimethylhexan-3-amine is CCOC([C@@H](N)CC)C(C)(C)C.
What is the InChIKey of (3S)-4-ethoxy-5,5-dimethylhexan-3-amine?
The InChIKey is NWYKVBUICAGKOE-IENPIDJESA-N. The full InChI is InChI=1S/C10H23NO/c1-6-8(11)9(12-7-2)10(3,4)5/h8-9H,6-7,11H2,1-5H3/t8-,9?/m0/s1.
What are the key properties of (3S)-4-ethoxy-5,5-dimethylhexan-3-amine?
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine has a molecular weight of 173.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethoxy-5,5-dimethylhexan-3-amine is sourced from PubChem (CID 104932287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).