4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine

C10H20N4 — CID 66150121

IUPAC4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCn1cncc1CN
InChIInChI=1S/C10H20N4/c1-13(2)5-3-4-6-14-9-12-8-10(14)7-11/h8-9H,3-7,11H2,1-2H3
InChIKeyZIAYHJOJXFBRNE-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.68
Rot. Bonds6

About 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine

4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine (PubChem CID 66150121) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine
PubChem CID66150121
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCn1cncc1CN
InChIInChI=1S/C10H20N4/c1-13(2)5-3-4-6-14-9-12-8-10(14)7-11/h8-9H,3-7,11H2,1-2H3
InChIKeyZIAYHJOJXFBRNE-UHFFFAOYSA-N
XLogP0.68
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.68
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-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 66150137
[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine
CID 106009318
[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637916
[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
CID 75530754
[3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine
CID 114707540
[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine
CID 114707746
[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]methanamine
CID 66147556
4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
CID 66151168
N-methyl-4-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propan-2-ylbutan-1-amine
CID 66150962
3-[5-(aminomethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150956
N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66146061
[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]methanamine
CID 106327223

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine (CID 66150121) is 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine is CN(C)CCCCn1cncc1CN.
What is the InChIKey of 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine?
The InChIKey is ZIAYHJOJXFBRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-13(2)5-3-4-6-14-9-12-8-10(14)7-11/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine?
4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 66150121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).