(2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine

C12H31N3O4Si — CID 87546396

IUPAC(2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine
SMILESCO[Si](C)(CCCN)OC.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.C6H17NO2Si/c7-4-2-1-3-5(8)6(9)10;1-8-10(3,9-2)6-4-5-7/h5H,1-4,7-8H2,(H,9,10);4-7H2,1-3H3/t5-;/m0./s1
InChIKeyRNBDIVVXMZTOKY-JEDNCBNOSA-N
MW309.48 g/mol
LogP0.23
Rot. Bonds10

About (2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine

(2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine (PubChem CID 87546396) has the molecular formula C12H31N3O4Si and a molecular weight of 309.48 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine
PubChem CID87546396
Molecular FormulaC12H31N3O4Si
Molecular Weight309.48 g/mol
Exact Mass309.21
IUPAC Name(2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine
SMILESCO[Si](C)(CCCN)OC.NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2.C6H17NO2Si/c7-4-2-1-3-5(8)6(9)10;1-8-10(3,9-2)6-4-5-7/h5H,1-4,7-8H2,(H,9,10);4-7H2,1-3H3/t5-;/m0./s1
InChIKeyRNBDIVVXMZTOKY-JEDNCBNOSA-N
XLogP0.23
TPSA133.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
CID 158432126
CID 158432126
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine?
The IUPAC name of (2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine (CID 87546396) is (2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine.
What is the SMILES notation for (2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine?
The canonical SMILES for (2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine is CO[Si](C)(CCCN)OC.NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine?
The InChIKey is RNBDIVVXMZTOKY-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O2.C6H17NO2Si/c7-4-2-1-3-5(8)6(9)10;1-8-10(3,9-2)6-4-5-7/h5H,1-4,7-8H2,(H,9,10);4-7H2,1-3H3/t5-;/m0./s1.
What are the key properties of (2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine?
(2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine has a molecular weight of 309.48 g/mol, XLogP of 0.23, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoic acid;3-[dimethoxy(methyl)silyl]propan-1-amine is sourced from PubChem (CID 87546396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).