[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine

C15H29N3O — CID 105245058

IUPAC[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine
SMILESNNC(C1CCCCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C15H29N3O/c16-17-15(12-6-3-1-2-4-7-12)14-10-18-9-5-8-13(18)11-19-14/h12-15,17H,1-11,16H2
InChIKeyREWIYACCNPPVKS-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.65
Rot. Bonds3

About [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine

[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine (PubChem CID 105245058) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine
PubChem CID105245058
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine
SMILESNNC(C1CCCCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C15H29N3O/c16-17-15(12-6-3-1-2-4-7-12)14-10-18-9-5-8-13(18)11-19-14/h12-15,17H,1-11,16H2
InChIKeyREWIYACCNPPVKS-UHFFFAOYSA-N
XLogP1.65
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cycloheptylmethanamine
CID 79082817
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylcycloheptan-1-amine
CID 79083472
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylhexan-1-amine
CID 79088304
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine
CID 79088310
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N,3-dimethylhexan-1-amine
CID 79088316
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine
CID 79088682
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanamine
CID 79088768
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanamine
CID 79089591
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methanamine
CID 82932302
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-cycloheptyl-N-methylmethanamine
CID 82932398
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]ethanamine
CID 82932504
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]propan-1-amine
CID 82932840

Frequently Asked Questions

What is the IUPAC name of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine?
The IUPAC name of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine (CID 105245058) is [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine.
What is the SMILES notation for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine?
The canonical SMILES for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine is NNC(C1CCCCCC1)C1CN2CCCC2CO1.
What is the InChIKey of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine?
The InChIKey is REWIYACCNPPVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c16-17-15(12-6-3-1-2-4-7-12)14-10-18-9-5-8-13(18)11-19-14/h12-15,17H,1-11,16H2.
What are the key properties of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine?
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine has a molecular weight of 267.42 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cycloheptyl)methyl]hydrazine is sourced from PubChem (CID 105245058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).