methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate

C14H26N4O2 — CID 63026662

IUPACmethyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate
SMILESCOC(=O)C(C)(N)CCCCN(C)Cc1nccn1C
InChIInChI=1S/C14H26N4O2/c1-14(15,13(19)20-4)7-5-6-9-17(2)11-12-16-8-10-18(12)3/h8,10H,5-7,9,11,15H2,1-4H3
InChIKeyPHXYEIQXIGMFHR-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.91
Rot. Bonds8

About methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate

methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate (PubChem CID 63026662) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate
PubChem CID63026662
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Namemethyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate
SMILESCOC(=O)C(C)(N)CCCCN(C)Cc1nccn1C
InChIInChI=1S/C14H26N4O2/c1-14(15,13(19)20-4)7-5-6-9-17(2)11-12-16-8-10-18(12)3/h8,10H,5-7,9,11,15H2,1-4H3
InChIKeyPHXYEIQXIGMFHR-UHFFFAOYSA-N
XLogP0.91
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63025456
N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63024435
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 63026955
N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025346
ethyl 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63024944
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
CID 63024492
N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025023
2-amino-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-phenylpropanoic acid
CID 63024592
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide
CID 63024945
methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
CID 81062130

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate?
The IUPAC name of methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate (CID 63026662) is methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate?
The canonical SMILES for methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate is COC(=O)C(C)(N)CCCCN(C)Cc1nccn1C.
What is the InChIKey of methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate?
The InChIKey is PHXYEIQXIGMFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-14(15,13(19)20-4)7-5-6-9-17(2)11-12-16-8-10-18(12)3/h8,10H,5-7,9,11,15H2,1-4H3.
What are the key properties of methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate?
methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate has a molecular weight of 282.39 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate is sourced from PubChem (CID 63026662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).