N-[2-(dimethylamino)ethyl]pent-4-enamide

C9H18N2O — CID 158602518

IUPACN-[2-(dimethylamino)ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCN(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-6-9(12)10-7-8-11(2)3/h4H,1,5-8H2,2-3H3,(H,10,12)
InChIKeyHVUWVZIPFKBVHJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.63
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]pent-4-enamide

N-[2-(dimethylamino)ethyl]pent-4-enamide (PubChem CID 158602518) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]pent-4-enamide
PubChem CID158602518
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[2-(dimethylamino)ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCN(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-6-9(12)10-7-8-11(2)3/h4H,1,5-8H2,2-3H3,(H,10,12)
InChIKeyHVUWVZIPFKBVHJ-UHFFFAOYSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]but-3-enamide
CID 89108263
(E)-N-[2-(dimethylamino)ethyl]oct-4-enamide
CID 102117814
N-(2-aminoethyl)pent-4-enamide
CID 62679699
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
CID 102117820
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
CID 51038800
N-[(2R)-2-hydroxypropyl]pent-4-enamide
CID 83031292
3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 167166577
3-(dimethylamino)-N-(3-oxopropyl)propanamide
CID 142174059
N-but-3-enylbutanamide
CID 54459050
N-but-3-ynylpent-4-enamide
CID 56765704

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]pent-4-enamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]pent-4-enamide (CID 158602518) is N-[2-(dimethylamino)ethyl]pent-4-enamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]pent-4-enamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]pent-4-enamide is C=CCCC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]pent-4-enamide?
The InChIKey is HVUWVZIPFKBVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-6-9(12)10-7-8-11(2)3/h4H,1,5-8H2,2-3H3,(H,10,12).
What are the key properties of N-[2-(dimethylamino)ethyl]pent-4-enamide?
N-[2-(dimethylamino)ethyl]pent-4-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]pent-4-enamide is sourced from PubChem (CID 158602518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).