N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine

C18H41NO2Si — CID 142705863

IUPACN-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine
SMILESCCCCCCN(CCCCCC)[Si](CC(C)C)(OC)OC
InChIInChI=1S/C18H41NO2Si/c1-7-9-11-13-15-19(16-14-12-10-8-2)22(20-5,21-6)17-18(3)4/h18H,7-17H2,1-6H3
InChIKeyVPLZNEUJOPLMNO-UHFFFAOYSA-N
MW331.62 g/mol
LogP5.34
Rot. Bonds15

About N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine

N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine (PubChem CID 142705863) has the molecular formula C18H41NO2Si and a molecular weight of 331.62 g/mol. Its IUPAC name is N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine.

Molecular Properties

Compound NameN-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine
PubChem CID142705863
Molecular FormulaC18H41NO2Si
Molecular Weight331.62 g/mol
Exact Mass331.29
IUPAC NameN-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine
SMILESCCCCCCN(CCCCCC)[Si](CC(C)C)(OC)OC
InChIInChI=1S/C18H41NO2Si/c1-7-9-11-13-15-19(16-14-12-10-8-2)22(20-5,21-6)17-18(3)4/h18H,7-17H2,1-6H3
InChIKeyVPLZNEUJOPLMNO-UHFFFAOYSA-N
XLogP5.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.62
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[dimethoxy(propyl)silyl]-N-octyloctan-1-amine
CID 54243095
N-[(dihexylamino)-dimethoxysilyl]-N-hexylhexan-1-amine
CID 139816206
N-[(dipentylamino)-dimethoxysilyl]-N-pentylpentan-1-amine
CID 139816210
N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride
CID 173034322
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
tris(2-methylpropyl)-octoxysilane
CID 612111

Frequently Asked Questions

What is the IUPAC name of N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine?
The IUPAC name of N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine (CID 142705863) is N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine.
What is the SMILES notation for N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine?
The canonical SMILES for N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine is CCCCCCN(CCCCCC)[Si](CC(C)C)(OC)OC.
What is the InChIKey of N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine?
The InChIKey is VPLZNEUJOPLMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO2Si/c1-7-9-11-13-15-19(16-14-12-10-8-2)22(20-5,21-6)17-18(3)4/h18H,7-17H2,1-6H3.
What are the key properties of N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine?
N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine has a molecular weight of 331.62 g/mol, XLogP of 5.34, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine is sourced from PubChem (CID 142705863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).