N-[5-(diethylamino)pentyl]but-2-enamide

C13H26N2O — CID 91596429

IUPACN-[5-(diethylamino)pentyl]but-2-enamide
SMILESCC=CC(=O)NCCCCCN(CC)CC
InChIInChI=1S/C13H26N2O/c1-4-10-13(16)14-11-8-7-9-12-15(5-2)6-3/h4,10H,5-9,11-12H2,1-3H3,(H,14,16)
InChIKeyVENMERYXSQUFAS-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.19
Rot. Bonds9

About N-[5-(diethylamino)pentyl]but-2-enamide

N-[5-(diethylamino)pentyl]but-2-enamide (PubChem CID 91596429) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[5-(diethylamino)pentyl]but-2-enamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentyl]but-2-enamide
PubChem CID91596429
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[5-(diethylamino)pentyl]but-2-enamide
SMILESCC=CC(=O)NCCCCCN(CC)CC
InChIInChI=1S/C13H26N2O/c1-4-10-13(16)14-11-8-7-9-12-15(5-2)6-3/h4,10H,5-9,11-12H2,1-3H3,(H,14,16)
InChIKeyVENMERYXSQUFAS-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[5-(methylamino)pentyl]but-2-enamide
CID 91428426
(E)-N-[3-(diethylamino)propyl]dec-2-enamide
CID 86694810
(E)-N-(5-methylsulfanylpentyl)but-2-enamide
CID 104920081
N-(7-methyloctyl)but-2-enamide
CID 112727082
N-[6-[[(E)-but-2-enoyl]amino]hexyl]-N'-ethyl-N'-[2-(methylamino)ethyl]pentanediamide
CID 142489135
5-(diethylamino)pentyl (E)-but-2-enoate
CID 87067527
N-[2-(diethylamino)ethyl]dec-2-enamide
CID 123705769
(E)-N-pent-4-enylbut-2-enamide
CID 122404178
(2Z,4Z)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 102438927
(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 101160253
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
2-cyano-N-[4-(diethylamino)butyl]acetamide
CID 22689010

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentyl]but-2-enamide?
The IUPAC name of N-[5-(diethylamino)pentyl]but-2-enamide (CID 91596429) is N-[5-(diethylamino)pentyl]but-2-enamide.
What is the SMILES notation for N-[5-(diethylamino)pentyl]but-2-enamide?
The canonical SMILES for N-[5-(diethylamino)pentyl]but-2-enamide is CC=CC(=O)NCCCCCN(CC)CC.
What is the InChIKey of N-[5-(diethylamino)pentyl]but-2-enamide?
The InChIKey is VENMERYXSQUFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-10-13(16)14-11-8-7-9-12-15(5-2)6-3/h4,10H,5-9,11-12H2,1-3H3,(H,14,16).
What are the key properties of N-[5-(diethylamino)pentyl]but-2-enamide?
N-[5-(diethylamino)pentyl]but-2-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentyl]but-2-enamide is sourced from PubChem (CID 91596429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).