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

C7H17NO — CID 28802418

IUPAC(2S,3S)-1-methoxy-3-methylpentan-2-amine
SMILESCC[C@H](C)[C@H](N)COC
InChIInChI=1S/C7H17NO/c1-4-6(2)7(8)5-9-3/h6-7H,4-5,8H2,1-3H3/t6-,7+/m0/s1
InChIKeyAYCMXMROWXRDTH-NKWVEPMBSA-N
MW131.22 g/mol
LogP1.01
Rot. Bonds4

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

(2S,3S)-1-methoxy-3-methylpentan-2-amine (PubChem CID 28802418) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2S,3S)-1-methoxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name(2S,3S)-1-methoxy-3-methylpentan-2-amine
PubChem CID28802418
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2S,3S)-1-methoxy-3-methylpentan-2-amine
SMILESCC[C@H](C)[C@H](N)COC
InChIInChI=1S/C7H17NO/c1-4-6(2)7(8)5-9-3/h6-7H,4-5,8H2,1-3H3/t6-,7+/m0/s1
InChIKeyAYCMXMROWXRDTH-NKWVEPMBSA-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

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Related Compounds

(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
1-methoxy-3-methylhexan-2-amine
CID 105008836
(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
3-methyl-1-propoxypentan-2-amine
CID 79446501
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
3-(methoxymethyl)pentan-2-amine
CID 66437856
5-ethyl-1-methoxy-2-methylheptan-4-amine
CID 105168463
(4S)-2,5-dimethylheptan-4-amine
CID 145304890
1,3,5-trimethoxypentane-2,4-diamine
CID 88989163
1-methoxy-3,4,4-trimethylpentan-2-amine
CID 131227097
8-methoxy-4-methyloctan-3-amine
CID 104648383

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-methoxy-3-methylpentan-2-amine?
The IUPAC name of (2S,3S)-1-methoxy-3-methylpentan-2-amine (CID 28802418) is (2S,3S)-1-methoxy-3-methylpentan-2-amine.
What is the SMILES notation for (2S,3S)-1-methoxy-3-methylpentan-2-amine?
The canonical SMILES for (2S,3S)-1-methoxy-3-methylpentan-2-amine is CC[C@H](C)[C@H](N)COC.
What is the InChIKey of (2S,3S)-1-methoxy-3-methylpentan-2-amine?
The InChIKey is AYCMXMROWXRDTH-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-6(2)7(8)5-9-3/h6-7H,4-5,8H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (2S,3S)-1-methoxy-3-methylpentan-2-amine?
(2S,3S)-1-methoxy-3-methylpentan-2-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,3S)-1-methoxy-3-methylpentan-2-amine is sourced from PubChem (CID 28802418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).