N,N-diethyl-2-prop-2-enylhexanamide

C13H25NO — CID 10680018

IUPACN,N-diethyl-2-prop-2-enylhexanamide
SMILESC=CCC(CCCC)C(=O)N(CC)CC
InChIInChI=1S/C13H25NO/c1-5-9-11-12(10-6-2)13(15)14(7-3)8-4/h6,12H,2,5,7-11H2,1,3-4H3
InChIKeyZHKKGHXFMOTZJS-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.24
Rot. Bonds8

About N,N-diethyl-2-prop-2-enylhexanamide

N,N-diethyl-2-prop-2-enylhexanamide (PubChem CID 10680018) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N,N-diethyl-2-prop-2-enylhexanamide.

Molecular Properties

Compound NameN,N-diethyl-2-prop-2-enylhexanamide
PubChem CID10680018
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN,N-diethyl-2-prop-2-enylhexanamide
SMILESC=CCC(CCCC)C(=O)N(CC)CC
InChIInChI=1S/C13H25NO/c1-5-9-11-12(10-6-2)13(15)14(7-3)8-4/h6,12H,2,5,7-11H2,1,3-4H3
InChIKeyZHKKGHXFMOTZJS-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-octyldodecanamide
CID 54517458
2-prop-2-enyloctadecanoic acid
CID 54468209
N,N,N',N'-tetraethyl-2,8-bis(hexadec-7-enyl)nonanediamide
CID 91497210
(2S)-2-[2-ethylhexanoyl(methyl)amino]pent-4-enoic acid
CID 59423801
4-propylnon-1-en-5-one
CID 11105997
2-[3-(diethylamino)propyl]pent-4-enoic acid
CID 90428630
2-prop-2-enyloctadecaneperoxoic acid
CID 87139819
butoxy 2-prop-2-enylhexaneperoxoate
CID 174804590
N-ethenyl-2-ethyl-N-methylhexanamide
CID 87457733
3-propylhex-5-en-2-one
CID 87772070
N,N,N',N'-tetraethyl-2,8-bis[8-[(2S,3S)-3-octyloxiran-2-yl]octyl]nonanediamide
CID 90908048
N,N-diethyl-2-nitrohexanamide
CID 15581421

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-prop-2-enylhexanamide?
The IUPAC name of N,N-diethyl-2-prop-2-enylhexanamide (CID 10680018) is N,N-diethyl-2-prop-2-enylhexanamide.
What is the SMILES notation for N,N-diethyl-2-prop-2-enylhexanamide?
The canonical SMILES for N,N-diethyl-2-prop-2-enylhexanamide is C=CCC(CCCC)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-prop-2-enylhexanamide?
The InChIKey is ZHKKGHXFMOTZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-9-11-12(10-6-2)13(15)14(7-3)8-4/h6,12H,2,5,7-11H2,1,3-4H3.
What are the key properties of N,N-diethyl-2-prop-2-enylhexanamide?
N,N-diethyl-2-prop-2-enylhexanamide has a molecular weight of 211.35 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-prop-2-enylhexanamide is sourced from PubChem (CID 10680018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).