1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine

C13H24N4 — CID 106565561

IUPAC1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCCCN(C)C
InChIInChI=1S/C13H24N4/c1-5-8-14-13-15-12(2)11-17(13)10-7-6-9-16(3)4/h5,11H,1,6-10H2,2-4H3,(H,14,15)
InChIKeyCLHRLKBPRHMBFW-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.13
Rot. Bonds8

About 1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine

1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine (PubChem CID 106565561) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
PubChem CID106565561
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCCCN(C)C
InChIInChI=1S/C13H24N4/c1-5-8-14-13-15-12(2)11-17(13)10-7-6-9-16(3)4/h5,11H,1,6-10H2,2-4H3,(H,14,15)
InChIKeyCLHRLKBPRHMBFW-UHFFFAOYSA-N
XLogP2.13
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine
CID 106578451
1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106561174
4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine
CID 106572182
1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106581178
1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106571490
4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine
CID 106565052
N-cyclopentyl-1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine
CID 106565566
1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine
CID 106565586
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106580957
N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
CID 106559563
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine (CID 106565561) is 1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1CCCCN(C)C.
What is the InChIKey of 1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The InChIKey is CLHRLKBPRHMBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-8-14-13-15-12(2)11-17(13)10-7-6-9-16(3)4/h5,11H,1,6-10H2,2-4H3,(H,14,15).
What are the key properties of 1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.13, 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]-4-methyl-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106565561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).