(3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine

C24H33NSi — CID 11473957

IUPAC(3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine
SMILESCCCC[C@@H](C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H33NSi/c1-5-6-17-24(18-19-26(2,3)4)25(20-22-13-9-7-10-14-22)21-23-15-11-8-12-16-23/h7-16,24H,5-6,17,20-21H2,1-4H3/t24-/m0/s1
InChIKeyXUOURBQALYFZMI-DEOSSOPVSA-N
MW363.62 g/mol
LogP6.13
Rot. Bonds8

About (3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine

(3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine (PubChem CID 11473957) has the molecular formula C24H33NSi and a molecular weight of 363.62 g/mol. Its IUPAC name is (3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine.

Molecular Properties

Compound Name(3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine
PubChem CID11473957
Molecular FormulaC24H33NSi
Molecular Weight363.62 g/mol
Exact Mass363.24
IUPAC Name(3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine
SMILESCCCC[C@@H](C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H33NSi/c1-5-6-17-24(18-19-26(2,3)4)25(20-22-13-9-7-10-14-22)21-23-15-11-8-12-16-23/h7-16,24H,5-6,17,20-21H2,1-4H3/t24-/m0/s1
InChIKeyXUOURBQALYFZMI-DEOSSOPVSA-N
XLogP6.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.62
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N,N-dibenzyl-4-methyl-1-trimethylsilylpent-1-yn-3-amine
CID 102502700
(3S)-N-benzyl-1-phenyl-N-prop-2-enylhept-1-yn-3-amine
CID 15527138
trimethyl-[(3R)-3-phenylhept-1-ynyl]silane
CID 102389836
N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine
CID 101462784
(3S,4R)-4-(dibenzylamino)-2,2-dimethyl-6-trimethylsilylhex-5-yn-3-ol
CID 101257956
(3R,4R)-4-(dibenzylamino)-2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol
CID 11337892
(2R,3S)-2-(dibenzylamino)-3-hydroxyheptanenitrile
CID 10860250
(2S,3S)-2-N,2-N,3-N-tribenzylheptane-2,3-diamine
CID 14791984
(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane
CID 166637296
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
(4S)-4-(dibenzylamino)-5-methyl-1-trimethylsilylhex-1-yn-3-one
CID 102384335
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine?
The IUPAC name of (3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine (CID 11473957) is (3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine.
What is the SMILES notation for (3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine?
The canonical SMILES for (3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine is CCCC[C@@H](C#C[Si](C)(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine?
The InChIKey is XUOURBQALYFZMI-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H33NSi/c1-5-6-17-24(18-19-26(2,3)4)25(20-22-13-9-7-10-14-22)21-23-15-11-8-12-16-23/h7-16,24H,5-6,17,20-21H2,1-4H3/t24-/m0/s1.
What are the key properties of (3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine?
(3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine has a molecular weight of 363.62 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine is sourced from PubChem (CID 11473957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).