N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine

C16H25N3O — CID 106906203

IUPACN-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCOC3CCCC32)n1
InChIInChI=1S/C16H25N3O/c1-2-17-11-13-5-3-6-14(18-13)12-19-9-10-20-16-8-4-7-15(16)19/h3,5-6,15-17H,2,4,7-12H2,1H3
InChIKeyKMNQSFUNAWWZNV-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.94
Rot. Bonds5

About N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine

N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 106906203) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine
PubChem CID106906203
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCOC3CCCC32)n1
InChIInChI=1S/C16H25N3O/c1-2-17-11-13-5-3-6-14(18-13)12-19-9-10-20-16-8-4-7-15(16)19/h3,5-6,15-17H,2,4,7-12H2,1H3
InChIKeyKMNQSFUNAWWZNV-UHFFFAOYSA-N
XLogP1.94
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

1-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]-N-methylmethanamine
CID 106906421
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine
CID 106907036
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine
CID 79244022
N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106905404
N-[[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-3-bromophenyl]methyl]ethanamine
CID 102770301
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62288156
N-[[6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906876
N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62446909
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62436042
N-[[6-[(4-cyclopropylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106905371
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 82752844

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine (CID 106906203) is N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(CN2CCOC3CCCC32)n1.
What is the InChIKey of N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is KMNQSFUNAWWZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-17-11-13-5-3-6-14(18-13)12-19-9-10-20-16-8-4-7-15(16)19/h3,5-6,15-17H,2,4,7-12H2,1H3.
What are the key properties of N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine?
N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 275.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106906203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).