3-(methylamino)-4-methyliminopentanal

C7H14N2O — CID 118963322

IUPAC3-(methylamino)-4-methyliminopentanal
SMILESC/N=C(\C)C(CC=O)NC
InChIInChI=1S/C7H14N2O/c1-6(8-2)7(9-3)4-5-10/h5,7,9H,4H2,1-3H3/b8-6+
InChIKeyFECZEFMTEXQZPL-SOFGYWHQSA-N
MW142.20 g/mol
LogP0.25
Rot. Bonds4

About 3-(methylamino)-4-methyliminopentanal

3-(methylamino)-4-methyliminopentanal (PubChem CID 118963322) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(methylamino)-4-methyliminopentanal.

Molecular Properties

Compound Name3-(methylamino)-4-methyliminopentanal
PubChem CID118963322
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-(methylamino)-4-methyliminopentanal
SMILESC/N=C(\C)C(CC=O)NC
InChIInChI=1S/C7H14N2O/c1-6(8-2)7(9-3)4-5-10/h5,7,9H,4H2,1-3H3/b8-6+
InChIKeyFECZEFMTEXQZPL-SOFGYWHQSA-N
XLogP0.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.25
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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Related Compounds

2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal
CID 161164097
2-(methylamino)-4-oxobutanamide
CID 130181448
ethene;methyl 2-(methylamino)-4-oxobutanoate
CID 158257207
ethyl 2-(methylamino)-4-oxobutanoate
CID 145228105
(3S)-3-hydroxy-3-(methylamino)propanal
CID 174657430
N-[(3S)-1,4-dioxopentan-3-yl]propanamide
CID 155017240
(2R)-2-methyl-4-oxobutanoic acid
CID 76936806
(3S)-3,5-bis(methylamino)pentan-2-one;(3S)-3-ethyl-4-oxopentanal
CID 159361137
4-oxo-2-(propan-2-ylamino)butanoic acid
CID 142578702
2-methyl-4-oxo-N-(2-oxoethyl)butanamide
CID 138599204
N,4,6-trimethyl-2-methyliminohept-5-en-3-amine
CID 123794549
(Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol
CID 167292732

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-methyliminopentanal?
The IUPAC name of 3-(methylamino)-4-methyliminopentanal (CID 118963322) is 3-(methylamino)-4-methyliminopentanal.
What is the SMILES notation for 3-(methylamino)-4-methyliminopentanal?
The canonical SMILES for 3-(methylamino)-4-methyliminopentanal is C/N=C(\C)C(CC=O)NC.
What is the InChIKey of 3-(methylamino)-4-methyliminopentanal?
The InChIKey is FECZEFMTEXQZPL-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(8-2)7(9-3)4-5-10/h5,7,9H,4H2,1-3H3/b8-6+.
What are the key properties of 3-(methylamino)-4-methyliminopentanal?
3-(methylamino)-4-methyliminopentanal has a molecular weight of 142.20 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-methyliminopentanal is sourced from PubChem (CID 118963322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).