N-(2-aminoethyl)pent-4-enamide

C7H14N2O — CID 62679699

IUPACN-(2-aminoethyl)pent-4-enamide
SMILESC=CCCC(=O)NCCN
InChIInChI=1S/C7H14N2O/c1-2-3-4-7(10)9-6-5-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyDWOVWAIJQNYCSH-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.03
Rot. Bonds5

About N-(2-aminoethyl)pent-4-enamide

N-(2-aminoethyl)pent-4-enamide (PubChem CID 62679699) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(2-aminoethyl)pent-4-enamide.

Molecular Properties

Compound NameN-(2-aminoethyl)pent-4-enamide
PubChem CID62679699
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(2-aminoethyl)pent-4-enamide
SMILESC=CCCC(=O)NCCN
InChIInChI=1S/C7H14N2O/c1-2-3-4-7(10)9-6-5-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyDWOVWAIJQNYCSH-UHFFFAOYSA-N
XLogP0.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

aminomethyl 3-(pent-4-enoylamino)propanoate
CID 163710958
N-[2-(dimethylamino)ethyl]pent-4-enamide
CID 158602518
N-but-3-ynylpent-4-enamide
CID 56765704
7-amino-N-(2-but-3-enoxyethyl)heptanamide
CID 114183717
N-but-3-enylbutanamide
CID 54459050
N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide
CID 11475539
5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride
CID 172550170
N-carbamoylpent-4-enamide
CID 152780678
N-(2-aminoethyl)butanamide;ethane
CID 143117924
N-(2-aminoethyl)nonanamide
CID 13028008
N-(3-aminopropyl)-4-prop-2-enoxybutanamide
CID 119406893
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]amino]propanamide;bis(ethane-1,2-diamine)
CID 159293879

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)pent-4-enamide?
The IUPAC name of N-(2-aminoethyl)pent-4-enamide (CID 62679699) is N-(2-aminoethyl)pent-4-enamide.
What is the SMILES notation for N-(2-aminoethyl)pent-4-enamide?
The canonical SMILES for N-(2-aminoethyl)pent-4-enamide is C=CCCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)pent-4-enamide?
The InChIKey is DWOVWAIJQNYCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-4-7(10)9-6-5-8/h2H,1,3-6,8H2,(H,9,10).
What are the key properties of N-(2-aminoethyl)pent-4-enamide?
N-(2-aminoethyl)pent-4-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)pent-4-enamide is sourced from PubChem (CID 62679699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).