(3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine

C10H26N2OSi — CID 87682388

IUPAC(3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](N)CCN
InChIInChI=1S/C10H26N2OSi/c1-10(2,3)14(4,5)13-8-9(12)6-7-11/h9H,6-8,11-12H2,1-5H3/t9-/m0/s1
InChIKeyQXDIUIXRYOGTPP-VIFPVBQESA-N
MW218.42 g/mol
LogP1.68
Rot. Bonds5

About (3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine

(3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine (PubChem CID 87682388) has the molecular formula C10H26N2OSi and a molecular weight of 218.42 g/mol. Its IUPAC name is (3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine.

Molecular Properties

Compound Name(3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine
PubChem CID87682388
Molecular FormulaC10H26N2OSi
Molecular Weight218.42 g/mol
Exact Mass218.18
IUPAC Name(3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](N)CCN
InChIInChI=1S/C10H26N2OSi/c1-10(2,3)14(4,5)13-8-9(12)6-7-11/h9H,6-8,11-12H2,1-5H3/t9-/m0/s1
InChIKeyQXDIUIXRYOGTPP-VIFPVBQESA-N
XLogP1.68
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine 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

(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine
CID 53427177
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine;hydrochloride
CID 50999200
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
(3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-amine
CID 88577810
2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine
CID 59428058
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine?
The IUPAC name of (3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine (CID 87682388) is (3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine.
What is the SMILES notation for (3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine?
The canonical SMILES for (3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine is CC(C)(C)[Si](C)(C)OC[C@@H](N)CCN.
What is the InChIKey of (3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine?
The InChIKey is QXDIUIXRYOGTPP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H26N2OSi/c1-10(2,3)14(4,5)13-8-9(12)6-7-11/h9H,6-8,11-12H2,1-5H3/t9-/m0/s1.
What are the key properties of (3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine?
(3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine has a molecular weight of 218.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine is sourced from PubChem (CID 87682388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).