1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine

C7H18ClNSi — CID 173059522

IUPAC1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine
SMILESCCC(C)C([SiH3])(Cl)N(C)C
InChIInChI=1S/C7H18ClNSi/c1-5-6(2)7(8,10)9(3)4/h6H,5H2,1-4,10H3
InChIKeyNOFHEPFLSHKMES-UHFFFAOYSA-N
MW179.77 g/mol
LogP0.85
Rot. Bonds3

About 1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine

1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine (PubChem CID 173059522) has the molecular formula C7H18ClNSi and a molecular weight of 179.77 g/mol. Its IUPAC name is 1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine.

Molecular Properties

Compound Name1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine
PubChem CID173059522
Molecular FormulaC7H18ClNSi
Molecular Weight179.77 g/mol
Exact Mass179.09
IUPAC Name1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine
SMILESCCC(C)C([SiH3])(Cl)N(C)C
InChIInChI=1S/C7H18ClNSi/c1-5-6(2)7(8,10)9(3)4/h6H,5H2,1-4,10H3
InChIKeyNOFHEPFLSHKMES-UHFFFAOYSA-N
XLogP0.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.77
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N,3,4,4,5-hexamethylheptan-3-amine
CID 143946906
1-N,1-N',2-trimethyl-1-silylbutane-1,1-diamine
CID 173002241
2-chloro-N,4-dimethyl-3-silylhexan-3-amine
CID 173065106
4-chloro-4-ethyl-3,3,5-trimethylheptane
CID 88777678
N-ethyl-N,4,5,5-tetramethylhexan-2-amine
CID 139472811
N,N-dimethylethanamine;2-methylpropane
CID 145274023
1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine
CID 173064950
3,4-diethyl-4,5-dimethylheptane
CID 57491367
1-chloro-1-N-ethyl-1-N',1-N',2-trimethyl-2-silylpropane-1,1-diamine
CID 173059198
methane;bis(1,1,1-trifluoro-2-methylbutane)
CID 161468876
2,3-dimethylpentane-2-thiol
CID 90985123
(3S)-2,2-difluoro-3-methylpentane
CID 129370790

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine?
The IUPAC name of 1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine (CID 173059522) is 1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine.
What is the SMILES notation for 1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine?
The canonical SMILES for 1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine is CCC(C)C([SiH3])(Cl)N(C)C.
What is the InChIKey of 1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine?
The InChIKey is NOFHEPFLSHKMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18ClNSi/c1-5-6(2)7(8,10)9(3)4/h6H,5H2,1-4,10H3.
What are the key properties of 1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine?
1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine has a molecular weight of 179.77 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine is sourced from PubChem (CID 173059522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).