4-amino-3,3-dimethyl-2-methyliminopentanal

C8H16N2O — CID 90869772

IUPAC4-amino-3,3-dimethyl-2-methyliminopentanal
SMILESC/N=C(\C=O)C(C)(C)C(C)N
InChIInChI=1S/C8H16N2O/c1-6(9)8(2,3)7(5-11)10-4/h5-6H,9H2,1-4H3/b10-7+
InChIKeyWZPIGNGWDQYVBU-JXMROGBWSA-N
MW156.23 g/mol
LogP0.63
Rot. Bonds3

About 4-amino-3,3-dimethyl-2-methyliminopentanal

4-amino-3,3-dimethyl-2-methyliminopentanal (PubChem CID 90869772) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-2-methyliminopentanal.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-2-methyliminopentanal
PubChem CID90869772
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-amino-3,3-dimethyl-2-methyliminopentanal
SMILESC/N=C(\C=O)C(C)(C)C(C)N
InChIInChI=1S/C8H16N2O/c1-6(9)8(2,3)7(5-11)10-4/h5-6H,9H2,1-4H3/b10-7+
InChIKeyWZPIGNGWDQYVBU-JXMROGBWSA-N
XLogP0.63
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-2-methyliminopentanal?
The IUPAC name of 4-amino-3,3-dimethyl-2-methyliminopentanal (CID 90869772) is 4-amino-3,3-dimethyl-2-methyliminopentanal.
What is the SMILES notation for 4-amino-3,3-dimethyl-2-methyliminopentanal?
The canonical SMILES for 4-amino-3,3-dimethyl-2-methyliminopentanal is C/N=C(\C=O)C(C)(C)C(C)N.
What is the InChIKey of 4-amino-3,3-dimethyl-2-methyliminopentanal?
The InChIKey is WZPIGNGWDQYVBU-JXMROGBWSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(9)8(2,3)7(5-11)10-4/h5-6H,9H2,1-4H3/b10-7+.
What are the key properties of 4-amino-3,3-dimethyl-2-methyliminopentanal?
4-amino-3,3-dimethyl-2-methyliminopentanal has a molecular weight of 156.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-2-methyliminopentanal is sourced from PubChem (CID 90869772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).