4-aminobutyl 6-amino-2-methylidenehexanoate

C11H22N2O2 — CID 57271260

IUPAC4-aminobutyl 6-amino-2-methylidenehexanoate
SMILESC=C(CCCCN)C(=O)OCCCCN
InChIInChI=1S/C11H22N2O2/c1-10(6-2-3-7-12)11(14)15-9-5-4-8-13/h1-9,12-13H2
InChIKeyKJSOFDPMXYBSLM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.95
Rot. Bonds9

About 4-aminobutyl 6-amino-2-methylidenehexanoate

4-aminobutyl 6-amino-2-methylidenehexanoate (PubChem CID 57271260) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-aminobutyl 6-amino-2-methylidenehexanoate.

Molecular Properties

Compound Name4-aminobutyl 6-amino-2-methylidenehexanoate
PubChem CID57271260
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-aminobutyl 6-amino-2-methylidenehexanoate
SMILESC=C(CCCCN)C(=O)OCCCCN
InChIInChI=1S/C11H22N2O2/c1-10(6-2-3-7-12)11(14)15-9-5-4-8-13/h1-9,12-13H2
InChIKeyKJSOFDPMXYBSLM-UHFFFAOYSA-N
XLogP0.95
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

nonyl 2-methylideneundecanoate
CID 142441213
heptyl 2-methylideneundecanoate
CID 176549260
octadecyl 2-methylideneicosanoate
CID 57219526
6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid
CID 57278988
butyl 2-methylideneoctanoate
CID 23364330
2-aminoethyl 2-methylidenehexanoate
CID 54444822
6-hydroxyhexyl 2-methylidenepentadecanoate
CID 87107597
6-amino-2-methylidenehexanamide
CID 90258126
nonyl 2-methylidenedodecanoate;prop-2-enoic acid
CID 135390219
butyl 2-methylidene-6-prop-2-enoyloxyhexanoate
CID 57068152
nonyl 2-methylidenepentanoate
CID 90751965
3-prop-2-enoyloxypropyl 4-amino-2-methylidenebutanoate
CID 88830321

Frequently Asked Questions

What is the IUPAC name of 4-aminobutyl 6-amino-2-methylidenehexanoate?
The IUPAC name of 4-aminobutyl 6-amino-2-methylidenehexanoate (CID 57271260) is 4-aminobutyl 6-amino-2-methylidenehexanoate.
What is the SMILES notation for 4-aminobutyl 6-amino-2-methylidenehexanoate?
The canonical SMILES for 4-aminobutyl 6-amino-2-methylidenehexanoate is C=C(CCCCN)C(=O)OCCCCN.
What is the InChIKey of 4-aminobutyl 6-amino-2-methylidenehexanoate?
The InChIKey is KJSOFDPMXYBSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(6-2-3-7-12)11(14)15-9-5-4-8-13/h1-9,12-13H2.
What are the key properties of 4-aminobutyl 6-amino-2-methylidenehexanoate?
4-aminobutyl 6-amino-2-methylidenehexanoate has a molecular weight of 214.31 g/mol, XLogP of 0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutyl 6-amino-2-methylidenehexanoate is sourced from PubChem (CID 57271260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).