2-methylidene-N,N-dipropylhexanamide

C13H25NO — CID 87269108

IUPAC2-methylidene-N,N-dipropylhexanamide
SMILESC=C(CCCC)C(=O)N(CCC)CCC
InChIInChI=1S/C13H25NO/c1-5-8-9-12(4)13(15)14(10-6-2)11-7-3/h4-11H2,1-3H3
InChIKeyXCUIHLATKFWDLD-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.38
Rot. Bonds8

About 2-methylidene-N,N-dipropylhexanamide

2-methylidene-N,N-dipropylhexanamide (PubChem CID 87269108) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methylidene-N,N-dipropylhexanamide.

Molecular Properties

Compound Name2-methylidene-N,N-dipropylhexanamide
PubChem CID87269108
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methylidene-N,N-dipropylhexanamide
SMILESC=C(CCCC)C(=O)N(CCC)CCC
InChIInChI=1S/C13H25NO/c1-5-8-9-12(4)13(15)14(10-6-2)11-7-3/h4-11H2,1-3H3
InChIKeyXCUIHLATKFWDLD-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-methylidene-N-propylpentanamide
CID 19764256
4-amino-N,N-dibutyl-2-methylidenebutanamide
CID 87759392
N',N'-diethyl-2-methylidenehexanehydrazide
CID 150323112
N,N-dimethyl-2-methylidenedodecanamide
CID 88681161
2-methylidenehexanoic acid;zinc
CID 174824467
ethane;2-methylidenehexanoic acid
CID 162072915
2-methylidenehexanoylazanide;terbium
CID 175783049
N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
CID 108509852
3,4-dimethylideneoctan-2-one
CID 143941758
zinc bis(2-methylidenehexanoate)
CID 122669315
lead(2+);bis(2-methylidenehexanoate)
CID 88789371
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N,N-dipropylhexanamide?
The IUPAC name of 2-methylidene-N,N-dipropylhexanamide (CID 87269108) is 2-methylidene-N,N-dipropylhexanamide.
What is the SMILES notation for 2-methylidene-N,N-dipropylhexanamide?
The canonical SMILES for 2-methylidene-N,N-dipropylhexanamide is C=C(CCCC)C(=O)N(CCC)CCC.
What is the InChIKey of 2-methylidene-N,N-dipropylhexanamide?
The InChIKey is XCUIHLATKFWDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-8-9-12(4)13(15)14(10-6-2)11-7-3/h4-11H2,1-3H3.
What are the key properties of 2-methylidene-N,N-dipropylhexanamide?
2-methylidene-N,N-dipropylhexanamide has a molecular weight of 211.35 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N,N-dipropylhexanamide is sourced from PubChem (CID 87269108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).