(2S,3R)-2-methoxy-3-methylpentan-1-amine

C7H17NO — CID 124510675

IUPAC(2S,3R)-2-methoxy-3-methylpentan-1-amine
SMILESCC[C@@H](C)[C@@H](CN)OC
InChIInChI=1S/C7H17NO/c1-4-6(2)7(5-8)9-3/h6-7H,4-5,8H2,1-3H3/t6-,7-/m1/s1
InChIKeyIDMUEQYNTNCGJN-RNFRBKRXSA-N
MW131.22 g/mol
LogP1.01
Rot. Bonds4

About (2S,3R)-2-methoxy-3-methylpentan-1-amine

(2S,3R)-2-methoxy-3-methylpentan-1-amine (PubChem CID 124510675) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S,3R)-2-methoxy-3-methylpentan-1-amine.

Molecular Properties

Compound Name(2S,3R)-2-methoxy-3-methylpentan-1-amine
PubChem CID124510675
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S,3R)-2-methoxy-3-methylpentan-1-amine
SMILESCC[C@@H](C)[C@@H](CN)OC
InChIInChI=1S/C7H17NO/c1-4-6(2)7(5-8)9-3/h6-7H,4-5,8H2,1-3H3/t6-,7-/m1/s1
InChIKeyIDMUEQYNTNCGJN-RNFRBKRXSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3R)-2-methoxy-3-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethoxy-3-methylbutan-1-amine
CID 116503390
(2S)-2-methoxy-3-methylbutan-1-amine
CID 26188668
2,3,3-trimethoxypropan-1-amine
CID 23120503
3-methoxypentane-1,2-diamine
CID 131111146
(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
CID 59693568
3-hexan-2-yl-2-methoxynonan-1-amine
CID 123562307
2-ethyl-3-methoxybutan-1-amine
CID 88936076
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
(2S)-2-methoxybutan-1-amine
CID 42427147
N-ethyl-3-methoxy-5-methylheptan-4-amine
CID 116715826
(4S)-4-amino-3-methoxy-5-methylheptanal
CID 167113955
1,5-dimethoxy-3-methylheptan-4-amine
CID 116715297

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methoxy-3-methylpentan-1-amine?
The IUPAC name of (2S,3R)-2-methoxy-3-methylpentan-1-amine (CID 124510675) is (2S,3R)-2-methoxy-3-methylpentan-1-amine.
What is the SMILES notation for (2S,3R)-2-methoxy-3-methylpentan-1-amine?
The canonical SMILES for (2S,3R)-2-methoxy-3-methylpentan-1-amine is CC[C@@H](C)[C@@H](CN)OC.
What is the InChIKey of (2S,3R)-2-methoxy-3-methylpentan-1-amine?
The InChIKey is IDMUEQYNTNCGJN-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-6(2)7(5-8)9-3/h6-7H,4-5,8H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (2S,3R)-2-methoxy-3-methylpentan-1-amine?
(2S,3R)-2-methoxy-3-methylpentan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methoxy-3-methylpentan-1-amine is sourced from PubChem (CID 124510675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).