methyl 2-(4-methylpentylideneamino)acetate

C9H17NO2 — CID 141316297

IUPACmethyl 2-(4-methylpentylideneamino)acetate
SMILESCOC(=O)C/N=C/CCC(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)5-4-6-10-7-9(11)12-3/h6,8H,4-5,7H2,1-3H3/b10-6+
InChIKeyNLDOJWCIZXJDAS-UXBLZVDNSA-N
MW171.24 g/mol
LogP1.67
Rot. Bonds5

About methyl 2-(4-methylpentylideneamino)acetate

methyl 2-(4-methylpentylideneamino)acetate (PubChem CID 141316297) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-(4-methylpentylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methylpentylideneamino)acetate
PubChem CID141316297
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-(4-methylpentylideneamino)acetate
SMILESCOC(=O)C/N=C/CCC(C)C
InChIInChI=1S/C9H17NO2/c1-8(2)5-4-6-10-7-9(11)12-3/h6,8H,4-5,7H2,1-3H3/b10-6+
InChIKeyNLDOJWCIZXJDAS-UXBLZVDNSA-N
XLogP1.67
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-methylbutylideneamino)acetate
CID 87096444
methyl 14-methylpentadec-10-enoate
CID 118599301
methyl (E)-15-methylhexadec-11-enoate
CID 5364661
methyl (Z)-17-methyloctadec-4-enoate
CID 10686436
methyl 21-methyldocosanoate
CID 14178788
methyl 11-methyl-3-oxododec-6-enoate
CID 71389368
dimethyl 2-[2-(1,4-dimethoxy-1,4-dioxobutan-2-yl)iminoethylideneamino]butanedioate
CID 101269245
ethane;methane;methyl 2-(propan-2-ylideneamino)acetate;methyl 2-(propan-2-ylideneamino)propanoate
CID 158815011
methyl 2-(benzylideneamino)acetate
CID 132550307
methyl (Z)-28-methyl-20,25-dioxononacos-10-enoate
CID 91065642
methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride
CID 138059580
methyl 3-methyl-6-oxohexanoate
CID 11194469

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylpentylideneamino)acetate?
The IUPAC name of methyl 2-(4-methylpentylideneamino)acetate (CID 141316297) is methyl 2-(4-methylpentylideneamino)acetate.
What is the SMILES notation for methyl 2-(4-methylpentylideneamino)acetate?
The canonical SMILES for methyl 2-(4-methylpentylideneamino)acetate is COC(=O)C/N=C/CCC(C)C.
What is the InChIKey of methyl 2-(4-methylpentylideneamino)acetate?
The InChIKey is NLDOJWCIZXJDAS-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)5-4-6-10-7-9(11)12-3/h6,8H,4-5,7H2,1-3H3/b10-6+.
What are the key properties of methyl 2-(4-methylpentylideneamino)acetate?
methyl 2-(4-methylpentylideneamino)acetate has a molecular weight of 171.24 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylpentylideneamino)acetate is sourced from PubChem (CID 141316297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).