tetradecyl propanimidate;hydrobromide

C17H36BrNO — CID 173155619

IUPACtetradecyl propanimidate;hydrobromide
SMILESBr.[H]/N=C(\CC)OCCCCCCCCCCCCCC
InChIInChI=1S/C17H35NO.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2;/h18H,3-16H2,1-2H3;1H/b18-17+;
InChIKeyVZAZKDAMHYVPFX-ZAGWXBKKSA-N
MW350.39 g/mol
LogP6.67
Rot. Bonds14

About tetradecyl propanimidate;hydrobromide

tetradecyl propanimidate;hydrobromide (PubChem CID 173155619) has the molecular formula C17H36BrNO and a molecular weight of 350.39 g/mol. Its IUPAC name is tetradecyl propanimidate;hydrobromide.

Molecular Properties

Compound Nametetradecyl propanimidate;hydrobromide
PubChem CID173155619
Molecular FormulaC17H36BrNO
Molecular Weight350.39 g/mol
Exact Mass349.20
IUPAC Nametetradecyl propanimidate;hydrobromide
SMILESBr.[H]/N=C(\CC)OCCCCCCCCCCCCCC
InChIInChI=1S/C17H35NO.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2;/h18H,3-16H2,1-2H3;1H/b18-17+;
InChIKeyVZAZKDAMHYVPFX-ZAGWXBKKSA-N
XLogP6.67
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.39
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

hexyl propanimidate
CID 148667462
heptyl octanimidate
CID 18721401
4-dodecoxy-4-iminobutanoic acid
CID 174501852
butyl 3-butoxypropanimidate;hydrobromide
CID 162138066
butyl 2-cyanoethanimidate
CID 89030633
heptyl 2-iminopropanoate
CID 174678170
4-hexoxybutanimidamide
CID 29003057
2-[(4-imino-4-tridecoxybutyl)-dimethylazaniumyl]acetate
CID 162451206
1-but-1-en-2-yloxyhexane
CID 57257919
tetradecyl 3-amino-2-iminopropanoate
CID 90710593
hexoxycarbonyl hexyl carbonate
CID 18974231
hexyl undecyl carbonate
CID 87299622

Frequently Asked Questions

What is the IUPAC name of tetradecyl propanimidate;hydrobromide?
The IUPAC name of tetradecyl propanimidate;hydrobromide (CID 173155619) is tetradecyl propanimidate;hydrobromide.
What is the SMILES notation for tetradecyl propanimidate;hydrobromide?
The canonical SMILES for tetradecyl propanimidate;hydrobromide is Br.[H]/N=C(\CC)OCCCCCCCCCCCCCC.
What is the InChIKey of tetradecyl propanimidate;hydrobromide?
The InChIKey is VZAZKDAMHYVPFX-ZAGWXBKKSA-N. The full InChI is InChI=1S/C17H35NO.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2;/h18H,3-16H2,1-2H3;1H/b18-17+;.
What are the key properties of tetradecyl propanimidate;hydrobromide?
tetradecyl propanimidate;hydrobromide has a molecular weight of 350.39 g/mol, XLogP of 6.67, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl propanimidate;hydrobromide is sourced from PubChem (CID 173155619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).