(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine

C18H31NOSi — CID 135020468

IUPAC(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine
SMILESC=CC[C@@H](CO[Si](C)(C)C(C)(C)C)NCc1ccccc1
InChIInChI=1S/C18H31NOSi/c1-7-11-17(15-20-21(5,6)18(2,3)4)19-14-16-12-9-8-10-13-16/h7-10,12-13,17,19H,1,11,14-15H2,2-6H3/t17-/m0/s1
InChIKeyNNRBWMMMMRWRHS-KRWDZBQOSA-N
MW305.54 g/mol
LogP4.74
Rot. Bonds8

About (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine

(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine (PubChem CID 135020468) has the molecular formula C18H31NOSi and a molecular weight of 305.54 g/mol. Its IUPAC name is (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine.

Molecular Properties

Compound Name(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine
PubChem CID135020468
Molecular FormulaC18H31NOSi
Molecular Weight305.54 g/mol
Exact Mass305.22
IUPAC Name(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine
SMILESC=CC[C@@H](CO[Si](C)(C)C(C)(C)C)NCc1ccccc1
InChIInChI=1S/C18H31NOSi/c1-7-11-17(15-20-21(5,6)18(2,3)4)19-14-16-12-9-8-10-13-16/h7-10,12-13,17,19H,1,11,14-15H2,2-6H3/t17-/m0/s1
InChIKeyNNRBWMMMMRWRHS-KRWDZBQOSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.54
LogP ≤ 54.74
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)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine?
The IUPAC name of (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine (CID 135020468) is (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine.
What is the SMILES notation for (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine?
The canonical SMILES for (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine is C=CC[C@@H](CO[Si](C)(C)C(C)(C)C)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine?
The InChIKey is NNRBWMMMMRWRHS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H31NOSi/c1-7-11-17(15-20-21(5,6)18(2,3)4)19-14-16-12-9-8-10-13-16/h7-10,12-13,17,19H,1,11,14-15H2,2-6H3/t17-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine?
(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine has a molecular weight of 305.54 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-amine is sourced from PubChem (CID 135020468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).