[bis(dimethylamino)methylideneamino] dodecanoate

C17H35N3O2 — CID 141191449

IUPAC[bis(dimethylamino)methylideneamino] dodecanoate
SMILESCCCCCCCCCCCC(=O)ON=C(N(C)C)N(C)C
InChIInChI=1S/C17H35N3O2/c1-6-7-8-9-10-11-12-13-14-15-16(21)22-18-17(19(2)3)20(4)5/h6-15H2,1-5H3
InChIKeyCRCGMBDKANHXMV-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.84
Rot. Bonds11

About [bis(dimethylamino)methylideneamino] dodecanoate

[bis(dimethylamino)methylideneamino] dodecanoate (PubChem CID 141191449) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is [bis(dimethylamino)methylideneamino] dodecanoate.

Molecular Properties

Compound Name[bis(dimethylamino)methylideneamino] dodecanoate
PubChem CID141191449
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name[bis(dimethylamino)methylideneamino] dodecanoate
SMILESCCCCCCCCCCCC(=O)ON=C(N(C)C)N(C)C
InChIInChI=1S/C17H35N3O2/c1-6-7-8-9-10-11-12-13-14-15-16(21)22-18-17(19(2)3)20(4)5/h6-15H2,1-5H3
InChIKeyCRCGMBDKANHXMV-UHFFFAOYSA-N
XLogP3.84
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
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'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(octan-2-ylideneamino) hexanoate
CID 142734724
butaneperoxoic acid;octadecaneperoxoic acid
CID 175012796
methyl heptanoate
CID 7826
methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl octadecanoate;methyl octanoate
CID 157178883
(ethylideneamino) tetradecanoate
CID 57011999
dimethylamino pentadecanoate
CID 57147620
magnesium;alumane;hydride;octadecaneperoxoic acid
CID 173057605
magnesium;alumane;docosaneperoxoic acid;hydride
CID 173369321
trideuteriomethyl tetracosanoate
CID 172990177
alumane;tetradecanoyl tetradecanoate;zinc
CID 173056587

Frequently Asked Questions

What is the IUPAC name of [bis(dimethylamino)methylideneamino] dodecanoate?
The IUPAC name of [bis(dimethylamino)methylideneamino] dodecanoate (CID 141191449) is [bis(dimethylamino)methylideneamino] dodecanoate.
What is the SMILES notation for [bis(dimethylamino)methylideneamino] dodecanoate?
The canonical SMILES for [bis(dimethylamino)methylideneamino] dodecanoate is CCCCCCCCCCCC(=O)ON=C(N(C)C)N(C)C.
What is the InChIKey of [bis(dimethylamino)methylideneamino] dodecanoate?
The InChIKey is CRCGMBDKANHXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-6-7-8-9-10-11-12-13-14-15-16(21)22-18-17(19(2)3)20(4)5/h6-15H2,1-5H3.
What are the key properties of [bis(dimethylamino)methylideneamino] dodecanoate?
[bis(dimethylamino)methylideneamino] dodecanoate has a molecular weight of 313.49 g/mol, XLogP of 3.84, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(dimethylamino)methylideneamino] dodecanoate is sourced from PubChem (CID 141191449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).