butyl 3-butoxypropanimidate;hydrobromide

C11H24BrNO2 — CID 162138066

IUPACbutyl 3-butoxypropanimidate;hydrobromide
SMILESBr.[H]/N=C(/CCOCCCC)OCCCC
InChIInChI=1S/C11H23NO2.BrH/c1-3-5-8-13-10-7-11(12)14-9-6-4-2;/h12H,3-10H2,1-2H3;1H/b12-11-;
InChIKeyZJOAODAIAIEYGN-AFEZEDKISA-N
MW282.22 g/mol
LogP3.57
Rot. Bonds9

About butyl 3-butoxypropanimidate;hydrobromide

butyl 3-butoxypropanimidate;hydrobromide (PubChem CID 162138066) has the molecular formula C11H24BrNO2 and a molecular weight of 282.22 g/mol. Its IUPAC name is butyl 3-butoxypropanimidate;hydrobromide.

Molecular Properties

Compound Namebutyl 3-butoxypropanimidate;hydrobromide
PubChem CID162138066
Molecular FormulaC11H24BrNO2
Molecular Weight282.22 g/mol
Exact Mass281.10
IUPAC Namebutyl 3-butoxypropanimidate;hydrobromide
SMILESBr.[H]/N=C(/CCOCCCC)OCCCC
InChIInChI=1S/C11H23NO2.BrH/c1-3-5-8-13-10-7-11(12)14-9-6-4-2;/h12H,3-10H2,1-2H3;1H/b12-11-;
InChIKeyZJOAODAIAIEYGN-AFEZEDKISA-N
XLogP3.57
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

heptyl octanimidate
CID 18721401
3-[2-(2-butoxyethoxy)ethoxy]propanimidamide
CID 104563635
tetradecyl propanimidate;hydrobromide
CID 173155619
hexyl propanimidate
CID 148667462
butyl 2-cyanoethanimidate
CID 89030633
4-hexoxybutanimidamide
CID 29003057
4-dodecoxy-4-iminobutanoic acid
CID 174501852
3-butoxypropanamide;ethane
CID 176554640
3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propyl 4-[4-[3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propoxy]-4-oxobutoxy]butanoate
CID 139796293
3-dodecoxypropanamide;hydrobromide
CID 175357705
2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate
CID 104568452
4-butoxybutane-2-thione
CID 157473221

Frequently Asked Questions

What is the IUPAC name of butyl 3-butoxypropanimidate;hydrobromide?
The IUPAC name of butyl 3-butoxypropanimidate;hydrobromide (CID 162138066) is butyl 3-butoxypropanimidate;hydrobromide.
What is the SMILES notation for butyl 3-butoxypropanimidate;hydrobromide?
The canonical SMILES for butyl 3-butoxypropanimidate;hydrobromide is Br.[H]/N=C(/CCOCCCC)OCCCC.
What is the InChIKey of butyl 3-butoxypropanimidate;hydrobromide?
The InChIKey is ZJOAODAIAIEYGN-AFEZEDKISA-N. The full InChI is InChI=1S/C11H23NO2.BrH/c1-3-5-8-13-10-7-11(12)14-9-6-4-2;/h12H,3-10H2,1-2H3;1H/b12-11-;.
What are the key properties of butyl 3-butoxypropanimidate;hydrobromide?
butyl 3-butoxypropanimidate;hydrobromide has a molecular weight of 282.22 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-butoxypropanimidate;hydrobromide is sourced from PubChem (CID 162138066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).