N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine

C9H17N3O — CID 115601377

IUPACN-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC1CCC(CNC2=NCCN2)OC1
InChIInChI=1S/C9H17N3O/c1-2-6-13-8(3-1)7-12-9-10-4-5-11-9/h8H,1-7H2,(H2,10,11,12)
InChIKeyNFXMKHWSRWGFEJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.10
Rot. Bonds2

About N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine

N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115601377) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115601377
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC1CCC(CNC2=NCCN2)OC1
InChIInChI=1S/C9H17N3O/c1-2-6-13-8(3-1)7-12-9-10-4-5-11-9/h8H,1-7H2,(H2,10,11,12)
InChIKeyNFXMKHWSRWGFEJ-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

Analyze N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601297
N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123866
N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111428530
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 6565893
2-methyl-N-(oxan-2-ylmethyl)butan-2-amine
CID 43421983
N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601307
5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 114448388
3-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277519
N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine
CID 114401778
(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]but-2-enamide
CID 137034882
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 65419059

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 115601377) is N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine is C1CCC(CNC2=NCCN2)OC1.
What is the InChIKey of N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is NFXMKHWSRWGFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-6-13-8(3-1)7-12-9-10-4-5-11-9/h8H,1-7H2,(H2,10,11,12).
What are the key properties of N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(oxan-2-ylmethyl)-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-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115601377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).