N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine

C13H23N3 — CID 103072227

IUPACN-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)Cn1ccnc1CC
InChIInChI=1S/C13H23N3/c1-6-12-14-7-8-16(12)10-11(2)9-15-13(3,4)5/h7-8,15H,2,6,9-10H2,1,3-5H3
InChIKeyORHSIUUQXOUANB-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.39
Rot. Bonds5

About N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine

N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine (PubChem CID 103072227) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine
PubChem CID103072227
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)Cn1ccnc1CC
InChIInChI=1S/C13H23N3/c1-6-12-14-7-8-16(12)10-11(2)9-15-13(3,4)5/h7-8,15H,2,6,9-10H2,1,3-5H3
InChIKeyORHSIUUQXOUANB-UHFFFAOYSA-N
XLogP2.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]prop-2-en-1-amine
CID 103072252
1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 115475677
N-tert-butyl-2-(pyrazol-1-ylmethyl)prop-2-en-1-amine
CID 103071542
N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62442763
N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine
CID 103069092
(2-ethylimidazol-1-yl)methanamine
CID 122501271
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-nitropyrimidin-2-one
CID 103073017
N-ethyl-2-[(2-propan-2-ylimidazol-1-yl)methyl]prop-2-en-1-amine
CID 103071842
N-[[1-(ethoxymethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65369489
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole
CID 143625447
4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid
CID 65248356

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine (CID 103072227) is N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)Cn1ccnc1CC.
What is the InChIKey of N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is ORHSIUUQXOUANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-12-14-7-8-16(12)10-11(2)9-15-13(3,4)5/h7-8,15H,2,6,9-10H2,1,3-5H3.
What are the key properties of N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine?
N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103072227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).