N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine

C10H17N3 — CID 65173134

IUPACN-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine
SMILESC=CCn1c(CNCC)cnc1C
InChIInChI=1S/C10H17N3/c1-4-6-13-9(3)12-8-10(13)7-11-5-2/h4,8,11H,1,5-7H2,2-3H3
InChIKeyCNMRMUQAIOQGPS-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.49
Rot. Bonds5

About N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine

N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine (PubChem CID 65173134) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine
PubChem CID65173134
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine
SMILESC=CCn1c(CNCC)cnc1C
InChIInChI=1S/C10H17N3/c1-4-6-13-9(3)12-8-10(13)7-11-5-2/h4,8,11H,1,5-7H2,2-3H3
InChIKeyCNMRMUQAIOQGPS-UHFFFAOYSA-N
XLogP1.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.49
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

2-methoxy-N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine
CID 65172189
N-[(3-butyl-2-methylimidazol-4-yl)methyl]ethanamine
CID 65172409
N-[[2-methyl-3-(2-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 65172516
N-[[3-(2-cyclopentylethyl)-2-methylimidazol-4-yl]methyl]ethanamine
CID 114192847
N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 65173082
N-[[3-[(2,6-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 114934374
N-[[3-(2-ethylhexyl)-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172513
N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 82924721
N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 104811800
N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172672
N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172669
N-[[3-[(2-chloro-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172412

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine (CID 65173134) is N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine is C=CCn1c(CNCC)cnc1C.
What is the InChIKey of N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine?
The InChIKey is CNMRMUQAIOQGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-6-13-9(3)12-8-10(13)7-11-5-2/h4,8,11H,1,5-7H2,2-3H3.
What are the key properties of N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine?
N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 65173134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).