1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine

C12H24N4 — CID 106565580

IUPAC1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine
SMILESCCCNc1nccn1CCCCN(C)C
InChIInChI=1S/C12H24N4/c1-4-7-13-12-14-8-11-16(12)10-6-5-9-15(2)3/h8,11H,4-7,9-10H2,1-3H3,(H,13,14)
InChIKeyAVLIVTXZRYSJMO-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.05
Rot. Bonds8

About 1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine

1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine (PubChem CID 106565580) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine
PubChem CID106565580
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine
SMILESCCCNc1nccn1CCCCN(C)C
InChIInChI=1S/C12H24N4/c1-4-7-13-12-14-8-11-16(12)10-6-5-9-15(2)3/h8,11H,4-7,9-10H2,1-3H3,(H,13,14)
InChIKeyAVLIVTXZRYSJMO-UHFFFAOYSA-N
XLogP2.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.05
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-(1-ethylimidazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 62138038
1-[2-(diethylamino)ethyl]-N-propylimidazol-2-amine
CID 106555282
N-butyl-1-hexylimidazol-2-amine
CID 106573794
1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine
CID 106581758
N-hexyl-1-propylimidazol-2-amine
CID 106573792
1-(2-cyclopropylethyl)-N-propylimidazol-2-amine
CID 106575826
1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine
CID 106581408
N-butyl-1-[2-[di(propan-2-yl)amino]ethyl]imidazol-2-amine
CID 106555556
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568584
1-dodecyl-N-methylimidazol-2-amine
CID 57016020

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine?
The IUPAC name of 1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine (CID 106565580) is 1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine.
What is the SMILES notation for 1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine?
The canonical SMILES for 1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine is CCCNc1nccn1CCCCN(C)C.
What is the InChIKey of 1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine?
The InChIKey is AVLIVTXZRYSJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-7-13-12-14-8-11-16(12)10-6-5-9-15(2)3/h8,11H,4-7,9-10H2,1-3H3,(H,13,14).
What are the key properties of 1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine?
1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine is sourced from PubChem (CID 106565580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).