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

C10H19N3O — CID 103741955

IUPACN-[(4-methyloxan-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1(CNC2=NCCN2)CCOCC1
InChIInChI=1S/C10H19N3O/c1-10(2-6-14-7-3-10)8-13-9-11-4-5-12-9/h2-8H2,1H3,(H2,11,12,13)
InChIKeyWUXNXHTXNHQCEQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.35
Rot. Bonds2

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

N-[(4-methyloxan-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 103741955) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID103741955
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1(CNC2=NCCN2)CCOCC1
InChIInChI=1S/C10H19N3O/c1-10(2-6-14-7-3-10)8-13-9-11-4-5-12-9/h2-8H2,1H3,(H2,11,12,13)
InChIKeyWUXNXHTXNHQCEQ-UHFFFAOYSA-N
XLogP0.35
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.35
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)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 103741955) is N-[(4-methyloxan-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine is CC1(CNC2=NCCN2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is WUXNXHTXNHQCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2-6-14-7-3-10)8-13-9-11-4-5-12-9/h2-8H2,1H3,(H2,11,12,13).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(4-methyloxan-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 197.28 g/mol, XLogP of 0.35, 2 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)methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 103741955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).