(1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine

C9H15N3O — CID 102970397

IUPAC(1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine
SMILESCC[C@H](N)c1nc2c([nH]1)COC2C
InChIInChI=1S/C9H15N3O/c1-3-6(10)9-11-7-4-13-5(2)8(7)12-9/h5-6H,3-4,10H2,1-2H3,(H,11,12)/t5?,6-/m0/s1
InChIKeySJNJLHJZAPYEBU-GDVGLLTNSA-N
MW181.24 g/mol
LogP1.41
Rot. Bonds2

About (1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine

(1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine (PubChem CID 102970397) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine
PubChem CID102970397
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine
SMILESCC[C@H](N)c1nc2c([nH]1)COC2C
InChIInChI=1S/C9H15N3O/c1-3-6(10)9-11-7-4-13-5(2)8(7)12-9/h5-6H,3-4,10H2,1-2H3,(H,11,12)/t5?,6-/m0/s1
InChIKeySJNJLHJZAPYEBU-GDVGLLTNSA-N
XLogP1.41
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine?
The IUPAC name of (1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine (CID 102970397) is (1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine is CC[C@H](N)c1nc2c([nH]1)COC2C.
What is the InChIKey of (1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine?
The InChIKey is SJNJLHJZAPYEBU-GDVGLLTNSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-6(10)9-11-7-4-13-5(2)8(7)12-9/h5-6H,3-4,10H2,1-2H3,(H,11,12)/t5?,6-/m0/s1.
What are the key properties of (1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine?
(1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-yl)propan-1-amine is sourced from PubChem (CID 102970397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).