N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine

C12H19N3O — CID 106567466

IUPACN-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NCCC1CCCO1
InChIInChI=1S/C12H19N3O/c1-2-8-15-9-7-14-12(15)13-6-5-11-4-3-10-16-11/h2,7,9,11H,1,3-6,8,10H2,(H,13,14)
InChIKeyFKSRZTLXSLDTEU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine

N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine (PubChem CID 106567466) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine
PubChem CID106567466
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NCCC1CCCO1
InChIInChI=1S/C12H19N3O/c1-2-8-15-9-7-14-12(15)13-6-5-11-4-3-10-16-11/h2,7,9,11H,1,3-6,8,10H2,(H,13,14)
InChIKeyFKSRZTLXSLDTEU-UHFFFAOYSA-N
XLogP2.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567497
N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567498
N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560081
N-cyclopropyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560113
1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one
CID 62938870
N-(3-ethoxypropyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560093
1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576782
N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106563824
N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039260
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162327
1-ethyl-4-methyl-N-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567508
1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554400

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine (CID 106567466) is N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine is C=CCn1ccnc1NCCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine?
The InChIKey is FKSRZTLXSLDTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-8-15-9-7-14-12(15)13-6-5-11-4-3-10-16-11/h2,7,9,11H,1,3-6,8,10H2,(H,13,14).
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine?
N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106567466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).