N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine

C9H17N3O — CID 114400434

IUPACN-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1(NC2=NCCN2)CCOCC1
InChIInChI=1S/C9H17N3O/c1-9(2-6-13-7-3-9)12-8-10-4-5-11-8/h2-7H2,1H3,(H2,10,11,12)
InChIKeyMWYDCOJAVZINQV-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.10
Rot. Bonds1

About N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine

N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 114400434) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID114400434
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1(NC2=NCCN2)CCOCC1
InChIInChI=1S/C9H17N3O/c1-9(2-6-13-7-3-9)12-8-10-4-5-11-8/h2-7H2,1H3,(H2,10,11,12)
InChIKeyMWYDCOJAVZINQV-UHFFFAOYSA-N
XLogP0.10
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine (CID 114400434) is N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine is CC1(NC2=NCCN2)CCOCC1.
What is the InChIKey of N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is MWYDCOJAVZINQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2-6-13-7-3-9)12-8-10-4-5-11-8/h2-7H2,1H3,(H2,10,11,12).
What are the key properties of N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine?
N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 183.25 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 114400434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).