CID 161411385

C19H57B3N3 — CID 161411385

IUPAC—
SMILESC.CC.CCC.CCC.CCC.CCNC.CN.CN(C)C.[B].[B].[B]
InChIInChI=1S/2C3H9N.3C3H8.C2H6.CH5N.CH4.3B/c1-4(2)3;1-3-4-2;3*1-3-2;2*1-2;;;;/h1-3H3;4H,3H2,1-2H3;3*3H2,1-2H3;1-2H3;2H2,1H3;1H4;;;
InChIKeyPYWWKTFTSHJKKC-UHFFFAOYSA-N
MW360.12 g/mol
LogP4.75
Rot. Bonds1

About CID 161411385

CID 161411385 (PubChem CID 161411385) has the molecular formula C19H57B3N3 and a molecular weight of 360.12 g/mol.

Molecular Properties

Compound NameCID 161411385
PubChem CID161411385
Molecular FormulaC19H57B3N3
Molecular Weight360.12 g/mol
Exact Mass360.48
IUPAC Name—
SMILESC.CC.CCC.CCC.CCC.CCNC.CN.CN(C)C.[B].[B].[B]
InChIInChI=1S/2C3H9N.3C3H8.C2H6.CH5N.CH4.3B/c1-4(2)3;1-3-4-2;3*1-3-2;2*1-2;;;;/h1-3H3;4H,3H2,1-2H3;3*3H2,1-2H3;1-2H3;2H2,1H3;1H4;;;
InChIKeyPYWWKTFTSHJKKC-UHFFFAOYSA-N
XLogP4.75
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.12
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methanamine;methane;N-methylethanamine
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ethane;methanamine;methane;propane
CID 143798923
N,N-dimethylethanamine;N-methylethanamine
CID 143334981
ethane;N-ethyl-N-methylethanamine;methanamine;N-methylmethanamine;propane
CID 142350107
N-methylethanamine;hydrofluoride
CID 173445578
hafnium;bis(N-methylethanamine)
CID 158490256
N,N-dimethylmethanamine;propane
CID 159726621
ethane;methanamine;propane
CID 91195053
ethane;methoxymethane;N-methylethanamine
CID 143795990
bis(N-methylethanamine);molybdenum;hydrate
CID 175328548
azane;N,N-dimethylmethanamine;methanamine;N-methylmethanamine
CID 174795186
ethane;methane;propane
CID 162208198

Frequently Asked Questions

What is the IUPAC name of CID 161411385?
The IUPAC name of CID 161411385 (CID 161411385) is not available.
What is the SMILES notation for CID 161411385?
The canonical SMILES for CID 161411385 is C.CC.CCC.CCC.CCC.CCNC.CN.CN(C)C.[B].[B].[B].
What is the InChIKey of CID 161411385?
The InChIKey is PYWWKTFTSHJKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9N.3C3H8.C2H6.CH5N.CH4.3B/c1-4(2)3;1-3-4-2;3*1-3-2;2*1-2;;;;/h1-3H3;4H,3H2,1-2H3;3*3H2,1-2H3;1-2H3;2H2,1H3;1H4;;;.
What are the key properties of CID 161411385?
CID 161411385 has a molecular weight of 360.12 g/mol, XLogP of 4.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161411385 is sourced from PubChem (CID 161411385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).