2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine

C13H23N3 — CID 103071844

IUPAC2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)Cn1ccnc1C(C)C
InChIInChI=1S/C13H23N3/c1-5-6-14-9-12(4)10-16-8-7-15-13(16)11(2)3/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKeyWZRYUXOMYZMYAN-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.56
Rot. Bonds7

About 2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine

2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine (PubChem CID 103071844) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine
PubChem CID103071844
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)Cn1ccnc1C(C)C
InChIInChI=1S/C13H23N3/c1-5-6-14-9-12(4)10-16-8-7-15-13(16)11(2)3/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKeyWZRYUXOMYZMYAN-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-ethyl-2-[(2-propan-2-ylimidazol-1-yl)methyl]prop-2-en-1-amine
CID 103071842
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
1-butyl-2-propan-2-ylimidazole
CID 11506521
2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol
CID 64811296
5-iodo-6-methyl-3-[2-(propylaminomethyl)prop-2-enyl]pyrimidin-4-one
CID 103072663
3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one
CID 103071897
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 62562672
N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine
CID 103068567
2-methyl-2-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)propan-1-ol
CID 64810048
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine
CID 104747255

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine?
The IUPAC name of 2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine (CID 103071844) is 2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine is C=C(CNCCC)Cn1ccnc1C(C)C.
What is the InChIKey of 2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine?
The InChIKey is WZRYUXOMYZMYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-6-14-9-12(4)10-16-8-7-15-13(16)11(2)3/h7-8,11,14H,4-6,9-10H2,1-3H3.
What are the key properties of 2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine?
2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103071844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).