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

C9H21NO — CID 104932286

IUPAC(3S)-4-methoxy-5,5-dimethylhexan-3-amine
SMILESCC[C@H](N)C(OC)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-6-7(10)8(11-5)9(2,3)4/h7-8H,6,10H2,1-5H3/t7-,8?/m0/s1
InChIKeyGVVJXVOMXHZRHO-JAMMHHFISA-N
MW159.27 g/mol
LogP1.78
Rot. Bonds3

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

(3S)-4-methoxy-5,5-dimethylhexan-3-amine (PubChem CID 104932286) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (3S)-4-methoxy-5,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name(3S)-4-methoxy-5,5-dimethylhexan-3-amine
PubChem CID104932286
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(3S)-4-methoxy-5,5-dimethylhexan-3-amine
SMILESCC[C@H](N)C(OC)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-6-7(10)8(11-5)9(2,3)4/h7-8H,6,10H2,1-5H3/t7-,8?/m0/s1
InChIKeyGVVJXVOMXHZRHO-JAMMHHFISA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
(2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine
CID 170384161
3-methoxy-2,2-dimethyloctan-4-amine
CID 116724229
(3R,4R)-3-methoxy-2,2,4-trimethylhexane
CID 177079402
1-cyclopropyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724204
4-(4-tert-butylphenoxy)-5,5-dimethylhexan-3-amine
CID 63458446
4-(3,5-dichlorophenoxy)-5,5-dimethylhexan-3-amine
CID 63459397
4-(3,5-difluorophenoxy)-5,5-dimethylhexan-3-amine
CID 62784471
1,1-dimethoxybutan-2-amine;hydrochloride
CID 86775568
hexane-3,4-diamine
CID 12656175
4-amino-2,2-dimethylhexan-3-ol
CID 12801394
1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724247

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methoxy-5,5-dimethylhexan-3-amine?
The IUPAC name of (3S)-4-methoxy-5,5-dimethylhexan-3-amine (CID 104932286) is (3S)-4-methoxy-5,5-dimethylhexan-3-amine.
What is the SMILES notation for (3S)-4-methoxy-5,5-dimethylhexan-3-amine?
The canonical SMILES for (3S)-4-methoxy-5,5-dimethylhexan-3-amine is CC[C@H](N)C(OC)C(C)(C)C.
What is the InChIKey of (3S)-4-methoxy-5,5-dimethylhexan-3-amine?
The InChIKey is GVVJXVOMXHZRHO-JAMMHHFISA-N. The full InChI is InChI=1S/C9H21NO/c1-6-7(10)8(11-5)9(2,3)4/h7-8H,6,10H2,1-5H3/t7-,8?/m0/s1.
What are the key properties of (3S)-4-methoxy-5,5-dimethylhexan-3-amine?
(3S)-4-methoxy-5,5-dimethylhexan-3-amine has a molecular weight of 159.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methoxy-5,5-dimethylhexan-3-amine is sourced from PubChem (CID 104932286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).