[1-[1-(dimethylamino)propyl]imidazol-2-yl] formate

C9H15N3O2 — CID 140833489

IUPAC[1-[1-(dimethylamino)propyl]imidazol-2-yl] formate
SMILESCCC(N(C)C)n1ccnc1OC=O
InChIInChI=1S/C9H15N3O2/c1-4-8(11(2)3)12-6-5-10-9(12)14-7-13/h5-8H,4H2,1-3H3
InChIKeyYADSHMSWOVRJAX-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.89
Rot. Bonds5

About [1-[1-(dimethylamino)propyl]imidazol-2-yl] formate

[1-[1-(dimethylamino)propyl]imidazol-2-yl] formate (PubChem CID 140833489) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is [1-[1-(dimethylamino)propyl]imidazol-2-yl] formate.

Molecular Properties

Compound Name[1-[1-(dimethylamino)propyl]imidazol-2-yl] formate
PubChem CID140833489
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name[1-[1-(dimethylamino)propyl]imidazol-2-yl] formate
SMILESCCC(N(C)C)n1ccnc1OC=O
InChIInChI=1S/C9H15N3O2/c1-4-8(11(2)3)12-6-5-10-9(12)14-7-13/h5-8H,4H2,1-3H3
InChIKeyYADSHMSWOVRJAX-UHFFFAOYSA-N
XLogP0.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-(2-tributylstannylimidazol-1-yl)propan-1-amine
CID 22609848
2-ethoxyimidazole-1-carbaldehyde
CID 174608185
N,N-dimethyl-1-pyrazol-1-ylpropan-1-amine
CID 173051890
N-ethyl-1-(1-methoxybutan-2-yl)imidazol-2-amine
CID 106574719
N-methyl-1-pentan-3-ylimidazol-2-amine
CID 106555013
1-[1-(dimethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106578657
1-butan-2-yl-2-propan-2-ylimidazole
CID 122705380
1-(2-methylimidazol-1-yl)propan-1-amine
CID 18183771
1-(1-hydroxyethyl)imidazole-2-carbaldehyde
CID 166812072
1-(1-fluoroethyl)imidazole-2-carbaldehyde
CID 170565561
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde
CID 91233035

Frequently Asked Questions

What is the IUPAC name of [1-[1-(dimethylamino)propyl]imidazol-2-yl] formate?
The IUPAC name of [1-[1-(dimethylamino)propyl]imidazol-2-yl] formate (CID 140833489) is [1-[1-(dimethylamino)propyl]imidazol-2-yl] formate.
What is the SMILES notation for [1-[1-(dimethylamino)propyl]imidazol-2-yl] formate?
The canonical SMILES for [1-[1-(dimethylamino)propyl]imidazol-2-yl] formate is CCC(N(C)C)n1ccnc1OC=O.
What is the InChIKey of [1-[1-(dimethylamino)propyl]imidazol-2-yl] formate?
The InChIKey is YADSHMSWOVRJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-8(11(2)3)12-6-5-10-9(12)14-7-13/h5-8H,4H2,1-3H3.
What are the key properties of [1-[1-(dimethylamino)propyl]imidazol-2-yl] formate?
[1-[1-(dimethylamino)propyl]imidazol-2-yl] formate has a molecular weight of 197.24 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(dimethylamino)propyl]imidazol-2-yl] formate is sourced from PubChem (CID 140833489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).