N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine

C9H17N3O2 — CID 104704461

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCOC1(CNC2=NCCN2)CCOC1
InChIInChI=1S/C9H17N3O2/c1-13-9(2-5-14-7-9)6-12-8-10-3-4-11-8/h2-7H2,1H3,(H2,10,11,12)
InChIKeyLCAVIWKXOTZUPN-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.66
Rot. Bonds3

About N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine

N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 104704461) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID104704461
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCOC1(CNC2=NCCN2)CCOC1
InChIInChI=1S/C9H17N3O2/c1-13-9(2-5-14-7-9)6-12-8-10-3-4-11-8/h2-7H2,1H3,(H2,10,11,12)
InChIKeyLCAVIWKXOTZUPN-UHFFFAOYSA-N
XLogP-0.66
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol
CID 103847253
1-Cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704459
1-[(3-Methoxyoxolan-3-yl)methyl]-2-methylguanidine
CID 104704460
1-Ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704486
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine
CID 104704488
2-[(3-Methoxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
CID 104704489
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propylguanidine
CID 104704492
N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 104760800
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol
CID 107265853
3-Ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109381738
3-[2-(2-Methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382371
3-[2-(2-Methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382372

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 104704461) is N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine is COC1(CNC2=NCCN2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is LCAVIWKXOTZUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-13-9(2-5-14-7-9)6-12-8-10-3-4-11-8/h2-7H2,1H3,(H2,10,11,12).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 199.25 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 104704461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).