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

C10H20N2O — CID 91428426

IUPACN-[5-(methylamino)pentyl]but-2-enamide
SMILESCC=CC(=O)NCCCCCNC
InChIInChI=1S/C10H20N2O/c1-3-7-10(13)12-9-6-4-5-8-11-2/h3,7,11H,4-6,8-9H2,1-2H3,(H,12,13)
InChIKeySNULCBHQWCBZPS-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.07
Rot. Bonds7

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

N-[5-(methylamino)pentyl]but-2-enamide (PubChem CID 91428426) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[5-(methylamino)pentyl]but-2-enamide.

Molecular Properties

Compound NameN-[5-(methylamino)pentyl]but-2-enamide
PubChem CID91428426
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[5-(methylamino)pentyl]but-2-enamide
SMILESCC=CC(=O)NCCCCCNC
InChIInChI=1S/C10H20N2O/c1-3-7-10(13)12-9-6-4-5-8-11-2/h3,7,11H,4-6,8-9H2,1-2H3,(H,12,13)
InChIKeySNULCBHQWCBZPS-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
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-(7-methyloctyl)but-2-enamide
CID 112727082
(E)-N-(5-methylsulfanylpentyl)but-2-enamide
CID 104920081
N-[5-(diethylamino)pentyl]but-2-enamide
CID 91596429
(E)-N-pent-4-enylbut-2-enamide
CID 122404178
N-[6-[[(E)-but-2-enoyl]amino]hexyl]-N'-ethyl-N'-[2-(methylamino)ethyl]pentanediamide
CID 142489135
(E)-N-(4-pyrrolidin-1-ylbutyl)but-2-enamide
CID 110459707
potassium 3-(but-2-enoylamino)propane-1-sulfonate
CID 141499458
(Z)-4-[6-[[(E)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid
CID 92542312
4-[8-(3-carboxyprop-2-enoylamino)octylamino]-4-oxobut-2-enoic acid
CID 54461920
(E)-N-(3,3-dimethylbutyl)but-2-enamide
CID 115580737
(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 101160253
(2Z,4Z)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 102438927

Frequently Asked Questions

What is the IUPAC name of N-[5-(methylamino)pentyl]but-2-enamide?
The IUPAC name of N-[5-(methylamino)pentyl]but-2-enamide (CID 91428426) is N-[5-(methylamino)pentyl]but-2-enamide.
What is the SMILES notation for N-[5-(methylamino)pentyl]but-2-enamide?
The canonical SMILES for N-[5-(methylamino)pentyl]but-2-enamide is CC=CC(=O)NCCCCCNC.
What is the InChIKey of N-[5-(methylamino)pentyl]but-2-enamide?
The InChIKey is SNULCBHQWCBZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-7-10(13)12-9-6-4-5-8-11-2/h3,7,11H,4-6,8-9H2,1-2H3,(H,12,13).
What are the key properties of N-[5-(methylamino)pentyl]but-2-enamide?
N-[5-(methylamino)pentyl]but-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methylamino)pentyl]but-2-enamide is sourced from PubChem (CID 91428426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).