(1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine

C11H17N3 — CID 102382241

IUPAC(1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine
SMILESC=CCN[C@@H](c1ncc[nH]1)[C@H](C)C=C
InChIInChI=1S/C11H17N3/c1-4-6-12-10(9(3)5-2)11-13-7-8-14-11/h4-5,7-10,12H,1-2,6H2,3H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyJUFZVZVPNFYVER-NXEZZACHSA-N
MW191.28 g/mol
LogP2.05
Rot. Bonds6

About (1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine

(1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine (PubChem CID 102382241) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine.

Molecular Properties

Compound Name(1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine
PubChem CID102382241
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine
SMILESC=CCN[C@@H](c1ncc[nH]1)[C@H](C)C=C
InChIInChI=1S/C11H17N3/c1-4-6-12-10(9(3)5-2)11-13-7-8-14-11/h4-5,7-10,12H,1-2,6H2,3H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyJUFZVZVPNFYVER-NXEZZACHSA-N
XLogP2.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine?
The IUPAC name of (1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine (CID 102382241) is (1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine.
What is the SMILES notation for (1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine?
The canonical SMILES for (1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine is C=CCN[C@@H](c1ncc[nH]1)[C@H](C)C=C.
What is the InChIKey of (1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine?
The InChIKey is JUFZVZVPNFYVER-NXEZZACHSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-6-12-10(9(3)5-2)11-13-7-8-14-11/h4-5,7-10,12H,1-2,6H2,3H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of (1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine?
(1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine has a molecular weight of 191.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine is sourced from PubChem (CID 102382241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).