CID 170637679

C7H17N3O2Si — CID 170637679

IUPAC—
SMILESCOC(OC)[Si]CCCN=C(N)N
InChIInChI=1S/C7H17N3O2Si/c1-11-7(12-2)13-5-3-4-10-6(8)9/h7H,3-5H2,1-2H3,(H4,8,9,10)
InChIKeyBKXAAGUYFIDXCX-UHFFFAOYSA-N
MW203.32 g/mol
LogP-0.65
Rot. Bonds7

About CID 170637679

CID 170637679 (PubChem CID 170637679) has the molecular formula C7H17N3O2Si and a molecular weight of 203.32 g/mol.

Molecular Properties

Compound NameCID 170637679
PubChem CID170637679
Molecular FormulaC7H17N3O2Si
Molecular Weight203.32 g/mol
Exact Mass203.11
IUPAC Name—
SMILESCOC(OC)[Si]CCCN=C(N)N
InChIInChI=1S/C7H17N3O2Si/c1-11-7(12-2)13-5-3-4-10-6(8)9/h7H,3-5H2,1-2H3,(H4,8,9,10)
InChIKeyBKXAAGUYFIDXCX-UHFFFAOYSA-N
XLogP-0.65
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(diaminomethylideneamino)propyl methyl carbonate
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CID 20836247
CID 20836247
ethane;2-(4-methylpentyl)guanidine
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2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
acetic acid;methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175503093
2-(4-butyloctyl)guanidine
CID 167172231
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
2-(4-aminobutyl)guanidine
CID 22560045
bis[8-(diaminomethylideneamino)octyl]azanium
CID 22618664
2-[(4R)-4-(methylamino)pentyl]guanidine
CID 59032682
2-(4-cyanobutyl)guanidine
CID 131086878
N-[3-(diaminomethylideneamino)propyl]-2-methylbutanamide
CID 59360329

Frequently Asked Questions

What is the IUPAC name of CID 170637679?
The IUPAC name of CID 170637679 (CID 170637679) is not available.
What is the SMILES notation for CID 170637679?
The canonical SMILES for CID 170637679 is COC(OC)[Si]CCCN=C(N)N.
What is the InChIKey of CID 170637679?
The InChIKey is BKXAAGUYFIDXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2Si/c1-11-7(12-2)13-5-3-4-10-6(8)9/h7H,3-5H2,1-2H3,(H4,8,9,10).
What are the key properties of CID 170637679?
CID 170637679 has a molecular weight of 203.32 g/mol, XLogP of -0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170637679 is sourced from PubChem (CID 170637679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).