N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine

C11H19N3 — CID 106570341

IUPACN-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NCC(C)CC
InChIInChI=1S/C11H19N3/c1-4-7-14-8-6-12-11(14)13-9-10(3)5-2/h4,6,8,10H,1,5,7,9H2,2-3H3,(H,12,13)
InChIKeyXMQDPZHWDHKZAG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.53
Rot. Bonds6

About N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine

N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine (PubChem CID 106570341) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine
PubChem CID106570341
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NCC(C)CC
InChIInChI=1S/C11H19N3/c1-4-7-14-8-6-12-11(14)13-9-10(3)5-2/h4,6,8,10H,1,5,7,9H2,2-3H3,(H,12,13)
InChIKeyXMQDPZHWDHKZAG-UHFFFAOYSA-N
XLogP2.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine (CID 106570341) is N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine is C=CCn1ccnc1NCC(C)CC.
What is the InChIKey of N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine?
The InChIKey is XMQDPZHWDHKZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-7-14-8-6-12-11(14)13-9-10(3)5-2/h4,6,8,10H,1,5,7,9H2,2-3H3,(H,12,13).
What are the key properties of N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine?
N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106570341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).