N,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide

C18H38N2Si — CID 173071738

IUPACN,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide
SMILESC=CC[SiH](C)C/C(=N/CCCCCC)NCCCCCC
InChIInChI=1S/C18H38N2Si/c1-5-8-10-12-14-19-18(17-21(4)16-7-3)20-15-13-11-9-6-2/h7,21H,3,5-6,8-17H2,1-2,4H3,(H,19,20)
InChIKeyPHIRKVWXNIXFDH-UHFFFAOYSA-N
MW310.60 g/mol
LogP5.18
Rot. Bonds14

About N,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide

N,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide (PubChem CID 173071738) has the molecular formula C18H38N2Si and a molecular weight of 310.60 g/mol. Its IUPAC name is N,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide.

Molecular Properties

Compound NameN,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide
PubChem CID173071738
Molecular FormulaC18H38N2Si
Molecular Weight310.60 g/mol
Exact Mass310.28
IUPAC NameN,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide
SMILESC=CC[SiH](C)C/C(=N/CCCCCC)NCCCCCC
InChIInChI=1S/C18H38N2Si/c1-5-8-10-12-14-19-18(17-21(4)16-7-3)20-15-13-11-9-6-2/h7,21H,3,5-6,8-17H2,1-2,4H3,(H,19,20)
InChIKeyPHIRKVWXNIXFDH-UHFFFAOYSA-N
XLogP5.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 88678498
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methyl N,N'-dipentylcarbamimidothioate
CID 88829700
2-(3-hydroxypropyl)-1-octylguanidine;hydroiodide
CID 111023661
1-hexyl-2-(6-methylsulfanylhexyl)guanidine;hydroiodide
CID 110032081
N-heptadecylprop-2-enamide
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2-(diaminomethylideneamino)-N-octylacetamide
CID 126489035
1-oct-7-enyl-3-octylthiourea
CID 23466616
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
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N'-heptyl-N-hexylpentanediamide
CID 154688669

Frequently Asked Questions

What is the IUPAC name of N,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide?
The IUPAC name of N,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide (CID 173071738) is N,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide.
What is the SMILES notation for N,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide?
The canonical SMILES for N,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide is C=CC[SiH](C)C/C(=N/CCCCCC)NCCCCCC.
What is the InChIKey of N,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide?
The InChIKey is PHIRKVWXNIXFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2Si/c1-5-8-10-12-14-19-18(17-21(4)16-7-3)20-15-13-11-9-6-2/h7,21H,3,5-6,8-17H2,1-2,4H3,(H,19,20).
What are the key properties of N,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide?
N,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide has a molecular weight of 310.60 g/mol, XLogP of 5.18, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dihexyl-2-[methyl(prop-2-enyl)silyl]ethanimidamide is sourced from PubChem (CID 173071738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).