N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine

C14H19N3O — CID 162798528

IUPACN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine
SMILESCC(C)NCC1COCc2nc3ccccc3n21
InChIInChI=1S/C14H19N3O/c1-10(2)15-7-11-8-18-9-14-16-12-5-3-4-6-13(12)17(11)14/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyAPZSAUXUGKUQHU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds3

About N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine

N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine (PubChem CID 162798528) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine
PubChem CID162798528
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine
SMILESCC(C)NCC1COCc2nc3ccccc3n21
InChIInChI=1S/C14H19N3O/c1-10(2)15-7-11-8-18-9-14-16-12-5-3-4-6-13(12)17(11)14/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyAPZSAUXUGKUQHU-UHFFFAOYSA-N
XLogP2.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine with MolForge

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Related Compounds

N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]propan-2-amine
CID 75411208
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzenesulfonamide
CID 162798396
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzamide
CID 163032802
1-[(4S)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 75411120
1-[(4S)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]-N-(quinolin-3-ylmethyl)methanamine
CID 75411118
N-[(8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]-2-phenylacetamide
CID 162798471
N-[[(4S)-8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]methanesulfonamide
CID 97423465
N-[[(4S)-8-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine
CID 75411224
N-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]oxan-4-amine
CID 75411244
N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]methanesulfonamide
CID 75411002
1-ethyl-3-[[(4S)-7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea
CID 97423461
N-[[(4S)-7-methoxy-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
CID 75411042

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine?
The IUPAC name of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine (CID 162798528) is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine is CC(C)NCC1COCc2nc3ccccc3n21.
What is the InChIKey of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine?
The InChIKey is APZSAUXUGKUQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)15-7-11-8-18-9-14-16-12-5-3-4-6-13(12)17(11)14/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine?
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 162798528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).