(2S,3S)-1,4-dimethoxybutane-2,3-diamine

C6H16N2O2 — CID 11051828

IUPAC(2S,3S)-1,4-dimethoxybutane-2,3-diamine
SMILESCOC[C@@H](N)[C@H](N)COC
InChIInChI=1S/C6H16N2O2/c1-9-3-5(7)6(8)4-10-2/h5-6H,3-4,7-8H2,1-2H3/t5-,6-/m1/s1
InChIKeyFDNVSPLUDUEDAK-PHDIDXHHSA-N
MW148.21 g/mol
LogP-1.07
Rot. Bonds5

About (2S,3S)-1,4-dimethoxybutane-2,3-diamine

(2S,3S)-1,4-dimethoxybutane-2,3-diamine (PubChem CID 11051828) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (2S,3S)-1,4-dimethoxybutane-2,3-diamine.

Molecular Properties

Compound Name(2S,3S)-1,4-dimethoxybutane-2,3-diamine
PubChem CID11051828
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name(2S,3S)-1,4-dimethoxybutane-2,3-diamine
SMILESCOC[C@@H](N)[C@H](N)COC
InChIInChI=1S/C6H16N2O2/c1-9-3-5(7)6(8)4-10-2/h5-6H,3-4,7-8H2,1-2H3/t5-,6-/m1/s1
InChIKeyFDNVSPLUDUEDAK-PHDIDXHHSA-N
XLogP-1.07
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
1-methoxy-3,4,4-trimethylpentan-2-amine
CID 131227097
1-methoxy-3-methylhexan-2-amine
CID 105008836
3-amino-4-methoxy-2-methylsulfanylbutan-1-ol
CID 114370505
(2S)-1-fluoro-3-methoxypropan-2-amine
CID 22789989
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
1,1-diamino-3-methoxypropan-2-ol
CID 126732231
1-chloro-3-methoxypropan-2-amine
CID 106180958
(2R)-2-amino-3-methoxypropanenitrile
CID 94047442
(2S)-2-amino-3-methoxypropanal
CID 18395600

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,4-dimethoxybutane-2,3-diamine?
The IUPAC name of (2S,3S)-1,4-dimethoxybutane-2,3-diamine (CID 11051828) is (2S,3S)-1,4-dimethoxybutane-2,3-diamine.
What is the SMILES notation for (2S,3S)-1,4-dimethoxybutane-2,3-diamine?
The canonical SMILES for (2S,3S)-1,4-dimethoxybutane-2,3-diamine is COC[C@@H](N)[C@H](N)COC.
What is the InChIKey of (2S,3S)-1,4-dimethoxybutane-2,3-diamine?
The InChIKey is FDNVSPLUDUEDAK-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-9-3-5(7)6(8)4-10-2/h5-6H,3-4,7-8H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2S,3S)-1,4-dimethoxybutane-2,3-diamine?
(2S,3S)-1,4-dimethoxybutane-2,3-diamine has a molecular weight of 148.21 g/mol, XLogP of -1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,4-dimethoxybutane-2,3-diamine is sourced from PubChem (CID 11051828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).