N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine

C11H22N4 — CID 63024435

IUPACN,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
SMILESCNCCCCN(C)Cc1nccn1C
InChIInChI=1S/C11H22N4/c1-12-6-4-5-8-14(2)10-11-13-7-9-15(11)3/h7,9,12H,4-6,8,10H2,1-3H3
InChIKeyQJJHQHQGWZWAQQ-UHFFFAOYSA-N
MW210.33 g/mol
LogP0.85
Rot. Bonds7

About N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine

N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine (PubChem CID 63024435) has the molecular formula C11H22N4 and a molecular weight of 210.33 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
PubChem CID63024435
Molecular FormulaC11H22N4
Molecular Weight210.33 g/mol
Exact Mass210.18
IUPAC NameN,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
SMILESCNCCCCN(C)Cc1nccn1C
InChIInChI=1S/C11H22N4/c1-12-6-4-5-8-14(2)10-11-13-7-9-15(11)3/h7,9,12H,4-6,8,10H2,1-3H3
InChIKeyQJJHQHQGWZWAQQ-UHFFFAOYSA-N
XLogP0.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
CID 63024492
N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025346
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 63026955
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
CID 63025530
N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762044
N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025023
N-methyl-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63026028
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate
CID 63026662
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 55144815

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine (CID 63024435) is N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine is CNCCCCN(C)Cc1nccn1C.
What is the InChIKey of N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine?
The InChIKey is QJJHQHQGWZWAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-12-6-4-5-8-14(2)10-11-13-7-9-15(11)3/h7,9,12H,4-6,8,10H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine?
N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine has a molecular weight of 210.33 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 63024435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).