(3R,4S)-1,1-dimethylsilinane-3,4-diamine

C7H18N2Si — CID 45122112

IUPAC(3R,4S)-1,1-dimethylsilinane-3,4-diamine
SMILESC[Si]1(C)CC[C@H](N)[C@@H](N)C1
InChIInChI=1S/C7H18N2Si/c1-10(2)4-3-6(8)7(9)5-10/h6-7H,3-5,8-9H2,1-2H3/t6-,7-/m0/s1
InChIKeyZKFFIPOVKHQHNV-BQBZGAKWSA-N
MW158.32 g/mol
LogP0.75
Rot. Bonds

About (3R,4S)-1,1-dimethylsilinane-3,4-diamine

(3R,4S)-1,1-dimethylsilinane-3,4-diamine (PubChem CID 45122112) has the molecular formula C7H18N2Si and a molecular weight of 158.32 g/mol. Its IUPAC name is (3R,4S)-1,1-dimethylsilinane-3,4-diamine.

Molecular Properties

Compound Name(3R,4S)-1,1-dimethylsilinane-3,4-diamine
PubChem CID45122112
Molecular FormulaC7H18N2Si
Molecular Weight158.32 g/mol
Exact Mass158.12
IUPAC Name(3R,4S)-1,1-dimethylsilinane-3,4-diamine
SMILESC[Si]1(C)CC[C@H](N)[C@@H](N)C1
InChIInChI=1S/C7H18N2Si/c1-10(2)4-3-6(8)7(9)5-10/h6-7H,3-5,8-9H2,1-2H3/t6-,7-/m0/s1
InChIKeyZKFFIPOVKHQHNV-BQBZGAKWSA-N
XLogP0.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1,1-dimethylsilinane-3,4-diamine?
The IUPAC name of (3R,4S)-1,1-dimethylsilinane-3,4-diamine (CID 45122112) is (3R,4S)-1,1-dimethylsilinane-3,4-diamine.
What is the SMILES notation for (3R,4S)-1,1-dimethylsilinane-3,4-diamine?
The canonical SMILES for (3R,4S)-1,1-dimethylsilinane-3,4-diamine is C[Si]1(C)CC[C@H](N)[C@@H](N)C1.
What is the InChIKey of (3R,4S)-1,1-dimethylsilinane-3,4-diamine?
The InChIKey is ZKFFIPOVKHQHNV-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H18N2Si/c1-10(2)4-3-6(8)7(9)5-10/h6-7H,3-5,8-9H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (3R,4S)-1,1-dimethylsilinane-3,4-diamine?
(3R,4S)-1,1-dimethylsilinane-3,4-diamine has a molecular weight of 158.32 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1,1-dimethylsilinane-3,4-diamine is sourced from PubChem (CID 45122112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).