N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine

C13H26N4 — CID 63025530

IUPACN'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
SMILESCCCCCNCCN(C)Cc1nccn1C
InChIInChI=1S/C13H26N4/c1-4-5-6-7-14-8-10-16(2)12-13-15-9-11-17(13)3/h9,11,14H,4-8,10,12H2,1-3H3
InChIKeyJVIHTFWRSDDSLA-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.63
Rot. Bonds9

About N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine

N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine (PubChem CID 63025530) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
PubChem CID63025530
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
SMILESCCCCCNCCN(C)Cc1nccn1C
InChIInChI=1S/C13H26N4/c1-4-5-6-7-14-8-10-16(2)12-13-15-9-11-17(13)3/h9,11,14H,4-8,10,12H2,1-3H3
InChIKeyJVIHTFWRSDDSLA-UHFFFAOYSA-N
XLogP1.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.63
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'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
CID 63024492
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 55144619
N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63024435
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196
N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528215
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-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55144234
N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025346
N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 63026368
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 63026955
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine (CID 63025530) is N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine is CCCCCNCCN(C)Cc1nccn1C.
What is the InChIKey of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine?
The InChIKey is JVIHTFWRSDDSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-5-6-7-14-8-10-16(2)12-13-15-9-11-17(13)3/h9,11,14H,4-8,10,12H2,1-3H3.
What are the key properties of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine?
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine is sourced from PubChem (CID 63025530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).