(2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine

C26H37NOSi — CID 102463026

IUPAC(2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine
SMILESC=CC[C@@H](CN(Cc1ccccc1)Cc1ccccc1)[C@@H](O[Si](C)(C)C)C(=C)C
InChIInChI=1S/C26H37NOSi/c1-7-14-25(26(22(2)3)28-29(4,5)6)21-27(19-23-15-10-8-11-16-23)20-24-17-12-9-13-18-24/h7-13,15-18,25-26H,1-2,14,19-21H2,3-6H3/t25-,26-/m0/s1
InChIKeyPGGKYPDGIUQVTF-UIOOFZCWSA-N
MW407.67 g/mol
LogP6.68
Rot. Bonds12

About (2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine

(2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine (PubChem CID 102463026) has the molecular formula C26H37NOSi and a molecular weight of 407.67 g/mol. Its IUPAC name is (2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine.

Molecular Properties

Compound Name(2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine
PubChem CID102463026
Molecular FormulaC26H37NOSi
Molecular Weight407.67 g/mol
Exact Mass407.26
IUPAC Name(2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine
SMILESC=CC[C@@H](CN(Cc1ccccc1)Cc1ccccc1)[C@@H](O[Si](C)(C)C)C(=C)C
InChIInChI=1S/C26H37NOSi/c1-7-14-25(26(22(2)3)28-29(4,5)6)21-27(19-23-15-10-8-11-16-23)20-24-17-12-9-13-18-24/h7-13,15-18,25-26H,1-2,14,19-21H2,3-6H3/t25-,26-/m0/s1
InChIKeyPGGKYPDGIUQVTF-UIOOFZCWSA-N
XLogP6.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.67
LogP ≤ 56.68
H-Bond Donors ≤ 50
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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Related Compounds

(2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol
CID 102403190
1-N,1-N-dibenzylpent-4-ene-1,2-diamine
CID 130698505
N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine
CID 144634917
methyl 2-[(dibenzylamino)methyl]but-3-enoate
CID 10924921
N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide
CID 15316897
1-[benzyl-[(2-methoxyphenyl)methyl]amino]hex-5-en-2-ol
CID 46007693
2-[[benzyl(prop-2-enyl)amino]methyl]phenol
CID 11391135
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 93164977
methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate
CID 101058397
1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
CID 112818476
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
1-[benzyl-[(4-methylphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46007539

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine?
The IUPAC name of (2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine (CID 102463026) is (2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine.
What is the SMILES notation for (2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine?
The canonical SMILES for (2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine is C=CC[C@@H](CN(Cc1ccccc1)Cc1ccccc1)[C@@H](O[Si](C)(C)C)C(=C)C.
What is the InChIKey of (2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine?
The InChIKey is PGGKYPDGIUQVTF-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H37NOSi/c1-7-14-25(26(22(2)3)28-29(4,5)6)21-27(19-23-15-10-8-11-16-23)20-24-17-12-9-13-18-24/h7-13,15-18,25-26H,1-2,14,19-21H2,3-6H3/t25-,26-/m0/s1.
What are the key properties of (2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine?
(2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine has a molecular weight of 407.67 g/mol, XLogP of 6.68, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,N-dibenzyl-4-methyl-2-prop-2-enyl-3-trimethylsilyloxypent-4-en-1-amine is sourced from PubChem (CID 102463026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).