2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal

C14H28N4O2 — CID 161164097

IUPAC2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal
SMILESC/N=C(\C)C(CC=O)NC.C/N=C(\C)CC(C=O)NC
InChIInChI=1S/2C7H14N2O/c1-6(8-2)4-7(5-10)9-3;1-6(8-2)7(9-3)4-5-10/h2*5,7,9H,4H2,1-3H3/b2*8-6+
InChIKeyUQHKHMRISZVMEX-QBIWIAABSA-N
MW284.40 g/mol
LogP0.51
Rot. Bonds8

About 2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal

2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal (PubChem CID 161164097) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal.

Molecular Properties

Compound Name2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal
PubChem CID161164097
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal
SMILESC/N=C(\C)C(CC=O)NC.C/N=C(\C)CC(C=O)NC
InChIInChI=1S/2C7H14N2O/c1-6(8-2)4-7(5-10)9-3;1-6(8-2)7(9-3)4-5-10/h2*5,7,9H,4H2,1-3H3/b2*8-6+
InChIKeyUQHKHMRISZVMEX-QBIWIAABSA-N
XLogP0.51
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-4-methyliminopentanal
CID 118963322
(2S)-2-(methylamino)-4-oxopentanal
CID 59947269
N,N-dimethyl-3-(methylamino)-4-oxobutanamide
CID 155015110
2-(methylamino)-4-oxobutanamide
CID 130181448
ethyl 2-(methylamino)-4-oxobutanoate
CID 145228105
ethene;methyl 2-(methylamino)-4-oxobutanoate
CID 158257207
(2S)-2-(methylamino)-4-sulfanylbutanal
CID 54280108
(3S)-3-hydroxy-3-(methylamino)propanal
CID 174657430
ethane;2-(methylamino)pentanedial;bis(2-(methylamino)propane-1,3-diol)
CID 178167308
(2S)-4-methoxy-2-(methylamino)butanal
CID 145050464
3-ethoxy-2-(methylamino)propanal
CID 162184376
ethane;(3S)-3-(methylamino)-4-oxobutanamide;methylcyclobutane
CID 160748270

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal?
The IUPAC name of 2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal (CID 161164097) is 2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal.
What is the SMILES notation for 2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal?
The canonical SMILES for 2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal is C/N=C(\C)C(CC=O)NC.C/N=C(\C)CC(C=O)NC.
What is the InChIKey of 2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal?
The InChIKey is UQHKHMRISZVMEX-QBIWIAABSA-N. The full InChI is InChI=1S/2C7H14N2O/c1-6(8-2)4-7(5-10)9-3;1-6(8-2)7(9-3)4-5-10/h2*5,7,9H,4H2,1-3H3/b2*8-6+.
What are the key properties of 2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal?
2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal has a molecular weight of 284.40 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal is sourced from PubChem (CID 161164097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).