(3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine

C18H31NOSi — CID 135014765

IUPAC(3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
SMILESC=C[C@H](NCc1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31NOSi/c1-8-17(19-14-16-12-10-9-11-13-16)15(2)20-21(6,7)18(3,4)5/h8-13,15,17,19H,1,14H2,2-7H3/t15-,17-/m0/s1
InChIKeyAMQDAXIDXNFIKC-RDJZCZTQSA-N
MW305.54 g/mol
LogP4.74
Rot. Bonds7

About (3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine

(3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine (PubChem CID 135014765) has the molecular formula C18H31NOSi and a molecular weight of 305.54 g/mol. Its IUPAC name is (3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine.

Molecular Properties

Compound Name(3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
PubChem CID135014765
Molecular FormulaC18H31NOSi
Molecular Weight305.54 g/mol
Exact Mass305.22
IUPAC Name(3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
SMILESC=C[C@H](NCc1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31NOSi/c1-8-17(19-14-16-12-10-9-11-13-16)15(2)20-21(6,7)18(3,4)5/h8-13,15,17,19H,1,14H2,2-7H3/t15-,17-/m0/s1
InChIKeyAMQDAXIDXNFIKC-RDJZCZTQSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 (3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine?
The IUPAC name of (3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine (CID 135014765) is (3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine.
What is the SMILES notation for (3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine?
The canonical SMILES for (3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine is C=C[C@H](NCc1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine?
The InChIKey is AMQDAXIDXNFIKC-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H31NOSi/c1-8-17(19-14-16-12-10-9-11-13-16)15(2)20-21(6,7)18(3,4)5/h8-13,15,17,19H,1,14H2,2-7H3/t15-,17-/m0/s1.
What are the key properties of (3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine?
(3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine has a molecular weight of 305.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine is sourced from PubChem (CID 135014765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).