(E)-2-amino-4,4-dimethylpent-2-enal

C7H13NO — CID 163977429

IUPAC(E)-2-amino-4,4-dimethylpent-2-enal
SMILESCC(C)(C)/C=C(/N)C=O
InChIInChI=1S/C7H13NO/c1-7(2,3)4-6(8)5-9/h4-5H,8H2,1-3H3/b6-4+
InChIKeySVKCCNYONARTJK-GQCTYLIASA-N
MW127.19 g/mol
LogP1.07
Rot. Bonds1

About (E)-2-amino-4,4-dimethylpent-2-enal

(E)-2-amino-4,4-dimethylpent-2-enal (PubChem CID 163977429) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-2-amino-4,4-dimethylpent-2-enal.

Molecular Properties

Compound Name(E)-2-amino-4,4-dimethylpent-2-enal
PubChem CID163977429
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-2-amino-4,4-dimethylpent-2-enal
SMILESCC(C)(C)/C=C(/N)C=O
InChIInChI=1S/C7H13NO/c1-7(2,3)4-6(8)5-9/h4-5H,8H2,1-3H3/b6-4+
InChIKeySVKCCNYONARTJK-GQCTYLIASA-N
XLogP1.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropanal;methanamine
CID 54475082
2-(2,2-dimethylpropylidene)propanedioic acid
CID 58916017
1,1-difluoro-3,3-dimethylbut-1-ene
CID 11542776
alumane;2,2-dimethylpropanal
CID 173462477
(Z)-2-isocyano-4,4-dimethylpent-2-ene
CID 88856835
4,4-dimethyl-2-phosphorosopent-2-ene
CID 57008494
2,4,4-trimethylpent-2-en-1-amine
CID 79330157
(2E,4Z)-2-amino-5-[methyl-(4-methylcyclohexyl)amino]penta-2,4-dienal
CID 137450910
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine
CID 67619754
(E)-2-fluoro-4,4-dimethylpent-2-enoic acid
CID 19373367
3,3-dimethylbut-1-en-2-amine
CID 15393104

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-4,4-dimethylpent-2-enal?
The IUPAC name of (E)-2-amino-4,4-dimethylpent-2-enal (CID 163977429) is (E)-2-amino-4,4-dimethylpent-2-enal.
What is the SMILES notation for (E)-2-amino-4,4-dimethylpent-2-enal?
The canonical SMILES for (E)-2-amino-4,4-dimethylpent-2-enal is CC(C)(C)/C=C(/N)C=O.
What is the InChIKey of (E)-2-amino-4,4-dimethylpent-2-enal?
The InChIKey is SVKCCNYONARTJK-GQCTYLIASA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2,3)4-6(8)5-9/h4-5H,8H2,1-3H3/b6-4+.
What are the key properties of (E)-2-amino-4,4-dimethylpent-2-enal?
(E)-2-amino-4,4-dimethylpent-2-enal has a molecular weight of 127.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-4,4-dimethylpent-2-enal is sourced from PubChem (CID 163977429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).