N-(1-amino-2-methylpropylidene)-2-ethylhexanamide

C12H24N2O — CID 22267337

IUPACN-(1-amino-2-methylpropylidene)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)/N=C(/N)C(C)C
InChIInChI=1S/C12H24N2O/c1-5-7-8-10(6-2)12(15)14-11(13)9(3)4/h9-10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyZEWVFNOEIKVERW-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.74
Rot. Bonds6

About N-(1-amino-2-methylpropylidene)-2-ethylhexanamide

N-(1-amino-2-methylpropylidene)-2-ethylhexanamide (PubChem CID 22267337) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(1-amino-2-methylpropylidene)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropylidene)-2-ethylhexanamide
PubChem CID22267337
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(1-amino-2-methylpropylidene)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)/N=C(/N)C(C)C
InChIInChI=1S/C12H24N2O/c1-5-7-8-10(6-2)12(15)14-11(13)9(3)4/h9-10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyZEWVFNOEIKVERW-UHFFFAOYSA-N
XLogP2.74
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;2-ethylhexanamide;hydride
CID 173043498
4-butyl-2-methyloctan-3-one
CID 171426152
1-hydroxyethyl 2-ethylhexanoate
CID 22112693
6-ethyl-2-methyldecane-3,5-dione
CID 158922502
1,1-diethoxy-3-ethylheptan-2-one
CID 165358267
1-(2-methylpropanoyloxy)ethyl 2-ethylhexanoate
CID 171426062
3,5-diethylnonan-4-one
CID 115785527
2-methylpropyl (2S)-2-ethylhexanoate
CID 40565508
2-ethylhexanoic acid;niobium
CID 87060397
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-propylhexanamide
CID 19818979
2-ethylhexanoic acid;palladium(2+)
CID 18629949

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropylidene)-2-ethylhexanamide?
The IUPAC name of N-(1-amino-2-methylpropylidene)-2-ethylhexanamide (CID 22267337) is N-(1-amino-2-methylpropylidene)-2-ethylhexanamide.
What is the SMILES notation for N-(1-amino-2-methylpropylidene)-2-ethylhexanamide?
The canonical SMILES for N-(1-amino-2-methylpropylidene)-2-ethylhexanamide is CCCCC(CC)C(=O)/N=C(/N)C(C)C.
What is the InChIKey of N-(1-amino-2-methylpropylidene)-2-ethylhexanamide?
The InChIKey is ZEWVFNOEIKVERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-7-8-10(6-2)12(15)14-11(13)9(3)4/h9-10H,5-8H2,1-4H3,(H2,13,14,15).
What are the key properties of N-(1-amino-2-methylpropylidene)-2-ethylhexanamide?
N-(1-amino-2-methylpropylidene)-2-ethylhexanamide has a molecular weight of 212.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropylidene)-2-ethylhexanamide is sourced from PubChem (CID 22267337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).