1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine

C13H22N4 — CID 106571490

IUPAC1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCN(C)C1CC1
InChIInChI=1S/C13H22N4/c1-4-7-14-13-15-11(2)10-17(13)9-8-16(3)12-5-6-12/h4,10,12H,1,5-9H2,2-3H3,(H,14,15)
InChIKeyNIFIMQBTLCYILX-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.88
Rot. Bonds7

About 1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine

1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine (PubChem CID 106571490) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
PubChem CID106571490
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CCN(C)C1CC1
InChIInChI=1S/C13H22N4/c1-4-7-14-13-15-11(2)10-17(13)9-8-16(3)12-5-6-12/h4,10,12H,1,5-9H2,2-3H3,(H,14,15)
InChIKeyNIFIMQBTLCYILX-UHFFFAOYSA-N
XLogP1.88
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106571519
1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106565561
4-methyl-1-(2-piperidin-1-ylethyl)-N-prop-2-enylimidazol-2-amine
CID 106565052
1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylimidazol-2-amine
CID 106571517
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-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106572476
4-methyl-1-(5-methylhexyl)-N-prop-2-enylimidazol-2-amine
CID 106578451
1-[4-(2-methoxyethoxy)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106581178
4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106580957
4-methyl-1-(2-methylcyclopropyl)-N-prop-2-enylimidazol-2-amine
CID 106571162
4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine
CID 106562626

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine (CID 106571490) is 1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1CCN(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The InChIKey is NIFIMQBTLCYILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-7-14-13-15-11(2)10-17(13)9-8-16(3)12-5-6-12/h4,10,12H,1,5-9H2,2-3H3,(H,14,15).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106571490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).