N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine

C19H37NSi — CID 139806688

IUPACN-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine
SMILESCCCCCCCCC1([Si](C)(C)NC(C)(C)C)C=CC=C1
InChIInChI=1S/C19H37NSi/c1-7-8-9-10-11-12-15-19(16-13-14-17-19)21(5,6)20-18(2,3)4/h13-14,16-17,20H,7-12,15H2,1-6H3
InChIKeyFIOXWQZYMPXGOZ-UHFFFAOYSA-N
MW307.60 g/mol
LogP6.20
Rot. Bonds9

About N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine

N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine (PubChem CID 139806688) has the molecular formula C19H37NSi and a molecular weight of 307.60 g/mol. Its IUPAC name is N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine
PubChem CID139806688
Molecular FormulaC19H37NSi
Molecular Weight307.60 g/mol
Exact Mass307.27
IUPAC NameN-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine
SMILESCCCCCCCCC1([Si](C)(C)NC(C)(C)C)C=CC=C1
InChIInChI=1S/C19H37NSi/c1-7-8-9-10-11-12-15-19(16-13-14-17-19)21(5,6)20-18(2,3)4/h13-14,16-17,20H,7-12,15H2,1-6H3
InChIKeyFIOXWQZYMPXGOZ-UHFFFAOYSA-N
XLogP6.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.60
LogP ≤ 56.20
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'}

Analyze N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol
CID 141330594
2,2-dimethylpropane;heptane
CID 144531055
1-nonyl-2-octylcyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 174885576
2-octyl-2-[9-(2-octylazepin-2-yl)fluoren-9-yl]azepine
CID 174534230
13-tert-butyl-13-methylpentacosane
CID 91013833
2-heptyl-2-octyl-1,3-dioxole
CID 141318565
2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine
CID 65194168
6-octadecyl-7-thiabicyclo[4.1.0]hepta-2,4-dien-1-ol
CID 154087876
5-bromo-5-dodecylcyclohexa-1,3-dien-1-amine
CID 139793988
5-bromo-5-hexylcyclohexa-1,3-dien-1-amine
CID 139793982
trimethyl-(1-nonylcyclopropyl)oxysilane
CID 10923164
N-tert-butylnonadecan-1-amine
CID 87846739

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine?
The IUPAC name of N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine (CID 139806688) is N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine is CCCCCCCCC1([Si](C)(C)NC(C)(C)C)C=CC=C1.
What is the InChIKey of N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine?
The InChIKey is FIOXWQZYMPXGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NSi/c1-7-8-9-10-11-12-15-19(16-13-14-17-19)21(5,6)20-18(2,3)4/h13-14,16-17,20H,7-12,15H2,1-6H3.
What are the key properties of N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine?
N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine has a molecular weight of 307.60 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine is sourced from PubChem (CID 139806688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).