(3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine

C23H39NOSi — CID 134813864

IUPAC(3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine
SMILESC=C[C@H](NCc1ccccc1)/C(=C/CCC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H39NOSi/c1-9-21(24-18-20-15-11-10-12-16-20)22(17-13-14-19(2)3)25-26(7,8)23(4,5)6/h9-12,15-17,19,21,24H,1,13-14,18H2,2-8H3/b22-17-/t21-/m0/s1
InChIKeyIPLJLWOOOGHFML-LEHARJQJSA-N
MW373.66 g/mol
LogP6.67
Rot. Bonds10

About (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine

(3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine (PubChem CID 134813864) has the molecular formula C23H39NOSi and a molecular weight of 373.66 g/mol. Its IUPAC name is (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine.

Molecular Properties

Compound Name(3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine
PubChem CID134813864
Molecular FormulaC23H39NOSi
Molecular Weight373.66 g/mol
Exact Mass373.28
IUPAC Name(3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine
SMILESC=C[C@H](NCc1ccccc1)/C(=C/CCC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H39NOSi/c1-9-21(24-18-20-15-11-10-12-16-20)22(17-13-14-19(2)3)25-26(7,8)23(4,5)6/h9-12,15-17,19,21,24H,1,13-14,18H2,2-8H3/b22-17-/t21-/m0/s1
InChIKeyIPLJLWOOOGHFML-LEHARJQJSA-N
XLogP6.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.66
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine?
The IUPAC name of (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine (CID 134813864) is (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine.
What is the SMILES notation for (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine?
The canonical SMILES for (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine is C=C[C@H](NCc1ccccc1)/C(=C/CCC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine?
The InChIKey is IPLJLWOOOGHFML-LEHARJQJSA-N. The full InChI is InChI=1S/C23H39NOSi/c1-9-21(24-18-20-15-11-10-12-16-20)22(17-13-14-19(2)3)25-26(7,8)23(4,5)6/h9-12,15-17,19,21,24H,1,13-14,18H2,2-8H3/b22-17-/t21-/m0/s1.
What are the key properties of (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine?
(3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine has a molecular weight of 373.66 g/mol, XLogP of 6.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnona-1,4-dien-3-amine is sourced from PubChem (CID 134813864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).