N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine

C14H28N4 — CID 63024492

IUPACN'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
SMILESCCCNCCCCCN(C)Cc1nccn1C
InChIInChI=1S/C14H28N4/c1-4-8-15-9-6-5-7-11-17(2)13-14-16-10-12-18(14)3/h10,12,15H,4-9,11,13H2,1-3H3
InChIKeyUEHRTQHEFSIARF-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.02
Rot. Bonds10

About N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine

N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine (PubChem CID 63024492) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
PubChem CID63024492
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
SMILESCCCNCCCCCN(C)Cc1nccn1C
InChIInChI=1S/C14H28N4/c1-4-8-15-9-6-5-7-11-17(2)13-14-16-10-12-18(14)3/h10,12,15H,4-9,11,13H2,1-3H3
InChIKeyUEHRTQHEFSIARF-UHFFFAOYSA-N
XLogP2.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.02
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-pentylethane-1,2-diamine
CID 63025530
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-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025346
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025023
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 55144619
N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 63026882

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine?
The IUPAC name of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine (CID 63024492) is N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine?
The canonical SMILES for N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine is CCCNCCCCCN(C)Cc1nccn1C.
What is the InChIKey of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine?
The InChIKey is UEHRTQHEFSIARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-4-8-15-9-6-5-7-11-17(2)13-14-16-10-12-18(14)3/h10,12,15H,4-9,11,13H2,1-3H3.
What are the key properties of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine?
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.02, 10 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-propylpentane-1,5-diamine is sourced from PubChem (CID 63024492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).