2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal

C13H23N3O — CID 63024609

IUPAC2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal
SMILESCCCC(C)(C=O)CN(C)Cc1nccn1C
InChIInChI=1S/C13H23N3O/c1-5-6-13(2,11-17)10-15(3)9-12-14-7-8-16(12)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyRUSSVMCFOMOMRN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.86
Rot. Bonds7

About 2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal

2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal (PubChem CID 63024609) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal.

Molecular Properties

Compound Name2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal
PubChem CID63024609
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal
SMILESCCCC(C)(C=O)CN(C)Cc1nccn1C
InChIInChI=1S/C13H23N3O/c1-5-6-13(2,11-17)10-15(3)9-12-14-7-8-16(12)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyRUSSVMCFOMOMRN-UHFFFAOYSA-N
XLogP1.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 63024969
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
CID 63026829
N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide
CID 63024945
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
CID 63025530
2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024794
4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol
CID 114865873
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
CID 63024492
ethyl 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63024944
2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal
CID 55052035
N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025130
2-ethyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal?
The IUPAC name of 2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal (CID 63024609) is 2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal.
What is the SMILES notation for 2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal?
The canonical SMILES for 2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal is CCCC(C)(C=O)CN(C)Cc1nccn1C.
What is the InChIKey of 2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal?
The InChIKey is RUSSVMCFOMOMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-6-13(2,11-17)10-15(3)9-12-14-7-8-16(12)4/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal?
2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal has a molecular weight of 237.35 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal is sourced from PubChem (CID 63024609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).