(E)-N-(2-aminoethyl)-2-methylpent-2-enamide

C8H16N2O — CID 60966147

IUPAC(E)-N-(2-aminoethyl)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NCCN
InChIInChI=1S/C8H16N2O/c1-3-4-7(2)8(11)10-6-5-9/h4H,3,5-6,9H2,1-2H3,(H,10,11)/b7-4+
InChIKeyHNVIHIUWDYBLRA-QPJJXVBHSA-N
MW156.23 g/mol
LogP0.42
Rot. Bonds4

About (E)-N-(2-aminoethyl)-2-methylpent-2-enamide

(E)-N-(2-aminoethyl)-2-methylpent-2-enamide (PubChem CID 60966147) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (E)-N-(2-aminoethyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminoethyl)-2-methylpent-2-enamide
PubChem CID60966147
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(E)-N-(2-aminoethyl)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NCCN
InChIInChI=1S/C8H16N2O/c1-3-4-7(2)8(11)10-6-5-9/h4H,3,5-6,9H2,1-2H3,(H,10,11)/b7-4+
InChIKeyHNVIHIUWDYBLRA-QPJJXVBHSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pent-2-enamide
CID 71880382
N-(2-azidoethyl)-2-methylpent-2-enamide
CID 61342491
(Z)-N-[2-(2-methoxyethylamino)ethyl]-2-methylpent-2-enamide
CID 82994252
(E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-methylpent-2-enamide
CID 97455138
N-(2-aminoethyl)acetamide;ethanamine
CID 142425997
N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide
CID 77011072
(2S)-2-hydroxy-3-[[(Z)-2-methylpent-2-enoyl]amino]propanoic acid
CID 107833074
2-ethyl-2-[(2-methylpent-2-enoylamino)methyl]butanoic acid
CID 91941445
N-(2-aminoethyl)-2-methylidenebutanamide
CID 87507056
(Z)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpent-2-enamide
CID 81485320
2-methylpent-2-enamide
CID 66895957
1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449763

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminoethyl)-2-methylpent-2-enamide?
The IUPAC name of (E)-N-(2-aminoethyl)-2-methylpent-2-enamide (CID 60966147) is (E)-N-(2-aminoethyl)-2-methylpent-2-enamide.
What is the SMILES notation for (E)-N-(2-aminoethyl)-2-methylpent-2-enamide?
The canonical SMILES for (E)-N-(2-aminoethyl)-2-methylpent-2-enamide is CC/C=C(\C)C(=O)NCCN.
What is the InChIKey of (E)-N-(2-aminoethyl)-2-methylpent-2-enamide?
The InChIKey is HNVIHIUWDYBLRA-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-7(2)8(11)10-6-5-9/h4H,3,5-6,9H2,1-2H3,(H,10,11)/b7-4+.
What are the key properties of (E)-N-(2-aminoethyl)-2-methylpent-2-enamide?
(E)-N-(2-aminoethyl)-2-methylpent-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminoethyl)-2-methylpent-2-enamide is sourced from PubChem (CID 60966147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).