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

C9H17N3O — CID 115601307

IUPACN-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(NC1=NCCN1)C1CCCO1
InChIInChI=1S/C9H17N3O/c1-7(8-3-2-6-13-8)12-9-10-4-5-11-9/h7-8H,2-6H2,1H3,(H2,10,11,12)
InChIKeyJKSKECPNAUDGFP-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.10
Rot. Bonds2

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

N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115601307) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115601307
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(NC1=NCCN1)C1CCCO1
InChIInChI=1S/C9H17N3O/c1-7(8-3-2-6-13-8)12-9-10-4-5-11-9/h7-8H,2-6H2,1H3,(H2,10,11,12)
InChIKeyJKSKECPNAUDGFP-UHFFFAOYSA-N
XLogP0.10
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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-[(1R)-1-cycloheptylethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 104921054
4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine
CID 65169694
4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine
CID 82236284
2-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine
CID 114401744
6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80780773
N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 130840823
4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine
CID 93103324
N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601297
3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine
CID 82237452
N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 133290907
2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79632789
N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine
CID 164651622

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 115601307) is N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is CC(NC1=NCCN1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is JKSKECPNAUDGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(8-3-2-6-13-8)12-9-10-4-5-11-9/h7-8H,2-6H2,1H3,(H2,10,11,12).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 183.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115601307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).