(2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine

C22H39NOSi — CID 101201656

IUPAC(2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine
SMILESC=CC[C@H](NCc1ccccc1)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H39NOSi/c1-9-13-22(23-16-21-14-11-10-12-15-21)20(8)24-25(17(2)3,18(4)5)19(6)7/h9-12,14-15,17-20,22-23H,1,13,16H2,2-8H3/t20-,22-/m0/s1
InChIKeyUSOLEKFTJFVXEB-UNMCSNQZSA-N
MW361.65 g/mol
LogP6.30
Rot. Bonds11

About (2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine

(2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine (PubChem CID 101201656) has the molecular formula C22H39NOSi and a molecular weight of 361.65 g/mol. Its IUPAC name is (2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine
PubChem CID101201656
Molecular FormulaC22H39NOSi
Molecular Weight361.65 g/mol
Exact Mass361.28
IUPAC Name(2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine
SMILESC=CC[C@H](NCc1ccccc1)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H39NOSi/c1-9-13-22(23-16-21-14-11-10-12-15-21)20(8)24-25(17(2)3,18(4)5)19(6)7/h9-12,14-15,17-20,22-23H,1,13,16H2,2-8H3/t20-,22-/m0/s1
InChIKeyUSOLEKFTJFVXEB-UNMCSNQZSA-N
XLogP6.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.65
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine?
The IUPAC name of (2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine (CID 101201656) is (2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine.
What is the SMILES notation for (2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine?
The canonical SMILES for (2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine is C=CC[C@H](NCc1ccccc1)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine?
The InChIKey is USOLEKFTJFVXEB-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H39NOSi/c1-9-13-22(23-16-21-14-11-10-12-15-21)20(8)24-25(17(2)3,18(4)5)19(6)7/h9-12,14-15,17-20,22-23H,1,13,16H2,2-8H3/t20-,22-/m0/s1.
What are the key properties of (2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine?
(2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine has a molecular weight of 361.65 g/mol, XLogP of 6.30, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-benzyl-2-tri(propan-2-yl)silyloxyhex-5-en-3-amine is sourced from PubChem (CID 101201656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).