N-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine

C7H19ClN2Si — CID 87334658

IUPACN-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine
SMILESCCC(C)[Si](Cl)(NC)N(C)C
InChIInChI=1S/C7H19ClN2Si/c1-6-7(2)11(8,9-3)10(4)5/h7,9H,6H2,1-5H3
InChIKeyRCYZGYOGUVBAME-UHFFFAOYSA-N
MW194.78 g/mol
LogP1.75
Rot. Bonds4

About N-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine

N-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine (PubChem CID 87334658) has the molecular formula C7H19ClN2Si and a molecular weight of 194.78 g/mol. Its IUPAC name is N-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine.

Molecular Properties

Compound NameN-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine
PubChem CID87334658
Molecular FormulaC7H19ClN2Si
Molecular Weight194.78 g/mol
Exact Mass194.10
IUPAC NameN-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine
SMILESCCC(C)[Si](Cl)(NC)N(C)C
InChIInChI=1S/C7H19ClN2Si/c1-6-7(2)11(8,9-3)10(4)5/h7,9H,6H2,1-5H3
InChIKeyRCYZGYOGUVBAME-UHFFFAOYSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.78
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine?
The IUPAC name of N-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine (CID 87334658) is N-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine.
What is the SMILES notation for N-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine?
The canonical SMILES for N-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine is CCC(C)[Si](Cl)(NC)N(C)C.
What is the InChIKey of N-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine?
The InChIKey is RCYZGYOGUVBAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19ClN2Si/c1-6-7(2)11(8,9-3)10(4)5/h7,9H,6H2,1-5H3.
What are the key properties of N-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine?
N-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine has a molecular weight of 194.78 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butan-2-yl-chloro-(dimethylamino)silyl]methanamine is sourced from PubChem (CID 87334658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).