N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine

C16H28N4O — CID 79071615

IUPACN-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1CC1CN2CCCC2CO1
InChIInChI=1S/C16H28N4O/c1-13(2)6-17-7-15-8-18-12-20(15)10-16-9-19-5-3-4-14(19)11-21-16/h8,12-14,16-17H,3-7,9-11H2,1-2H3
InChIKeyRBQLZJLCQVRGNR-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.49
Rot. Bonds6

About N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79071615) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID79071615
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1CC1CN2CCCC2CO1
InChIInChI=1S/C16H28N4O/c1-13(2)6-17-7-15-8-18-12-20(15)10-16-9-19-5-3-4-14(19)11-21-16/h8,12-14,16-17H,3-7,9-11H2,1-2H3
InChIKeyRBQLZJLCQVRGNR-UHFFFAOYSA-N
XLogP1.49
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine (CID 79071615) is N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cncn1CC1CN2CCCC2CO1.
What is the InChIKey of N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RBQLZJLCQVRGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(2)6-17-7-15-8-18-12-20(15)10-16-9-19-5-3-4-14(19)11-21-16/h8,12-14,16-17H,3-7,9-11H2,1-2H3.
What are the key properties of N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79071615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).