N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

C9H17N3O — CID 115601297

IUPACN-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESC1COC(CCNC2=NCCN2)C1
InChIInChI=1S/C9H17N3O/c1-2-8(13-7-1)3-4-10-9-11-5-6-12-9/h8H,1-7H2,(H2,10,11,12)
InChIKeyIBAQGVSUKMYATL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.10
Rot. Bonds3

About N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115601297) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115601297
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESC1COC(CCNC2=NCCN2)C1
InChIInChI=1S/C9H17N3O/c1-2-8(13-7-1)3-4-10-9-11-5-6-12-9/h8H,1-7H2,(H2,10,11,12)
InChIKeyIBAQGVSUKMYATL-UHFFFAOYSA-N
XLogP0.10
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 115601377
N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79507708
N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114401742
N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine
CID 114401778
5-(chloromethyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106957263
5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64915181
N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123866
N-[2-(oxan-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106000311
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111428530
5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624112
N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601307

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 115601297) is N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is C1COC(CCNC2=NCCN2)C1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is IBAQGVSUKMYATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-8(13-7-1)3-4-10-9-11-5-6-12-9/h8H,1-7H2,(H2,10,11,12).
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 183.25 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115601297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).