(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine

C13H31NOSi — CID 15632282

IUPAC(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine
SMILESCCCC[C@@H](N)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H31NOSi/c1-8-9-10-12(14)11(2)15-16(6,7)13(3,4)5/h11-12H,8-10,14H2,1-7H3/t11-,12+/m0/s1
InChIKeyBXUQBMQAZWRYRN-NWDGAFQWSA-N
MW245.48 g/mol
LogP3.91
Rot. Bonds6

About (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine

(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine (PubChem CID 15632282) has the molecular formula C13H31NOSi and a molecular weight of 245.48 g/mol. Its IUPAC name is (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine
PubChem CID15632282
Molecular FormulaC13H31NOSi
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Name(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine
SMILESCCCC[C@@H](N)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H31NOSi/c1-8-9-10-12(14)11(2)15-16(6,7)13(3,4)5/h11-12H,8-10,14H2,1-7H3/t11-,12+/m0/s1
InChIKeyBXUQBMQAZWRYRN-NWDGAFQWSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine?
The IUPAC name of (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine (CID 15632282) is (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine.
What is the SMILES notation for (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine?
The canonical SMILES for (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine is CCCC[C@@H](N)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine?
The InChIKey is BXUQBMQAZWRYRN-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H31NOSi/c1-8-9-10-12(14)11(2)15-16(6,7)13(3,4)5/h11-12H,8-10,14H2,1-7H3/t11-,12+/m0/s1.
What are the key properties of (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine?
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine has a molecular weight of 245.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine is sourced from PubChem (CID 15632282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).