N-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine

C10H15N3 — CID 176566414

IUPACN-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine
SMILESCC=Cc1nc(C)cn1N=C(C)C
InChIInChI=1S/C10H15N3/c1-5-6-10-11-9(4)7-13(10)12-8(2)3/h5-7H,1-4H3
InChIKeyMKNQUBRWDNJAGS-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.47
Rot. Bonds2

About N-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine

N-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine (PubChem CID 176566414) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine.

Molecular Properties

Compound NameN-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine
PubChem CID176566414
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine
SMILESCC=Cc1nc(C)cn1N=C(C)C
InChIInChI=1S/C10H15N3/c1-5-6-10-11-9(4)7-13(10)12-8(2)3/h5-7H,1-4H3
InChIKeyMKNQUBRWDNJAGS-UHFFFAOYSA-N
XLogP2.47
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine?
The IUPAC name of N-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine (CID 176566414) is N-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine.
What is the SMILES notation for N-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine?
The canonical SMILES for N-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine is CC=Cc1nc(C)cn1N=C(C)C.
What is the InChIKey of N-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine?
The InChIKey is MKNQUBRWDNJAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-6-10-11-9(4)7-13(10)12-8(2)3/h5-7H,1-4H3.
What are the key properties of N-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine?
N-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine has a molecular weight of 177.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-prop-1-enylimidazol-1-yl)propan-2-imine is sourced from PubChem (CID 176566414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).