N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine

C16H26N2O2 — CID 62436042

IUPACN-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCOC3CCCC32)o1
InChIInChI=1S/C16H26N2O2/c1-2-8-17-11-13-6-7-14(20-13)12-18-9-10-19-16-5-3-4-15(16)18/h6-7,15-17H,2-5,8-12H2,1H3
InChIKeyKBGROXYMFTXUKX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds6

About N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine

N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62436042) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62436042
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCOC3CCCC32)o1
InChIInChI=1S/C16H26N2O2/c1-2-8-17-11-13-6-7-14(20-13)12-18-9-10-19-16-5-3-4-15(16)18/h6-7,15-17H,2-5,8-12H2,1H3
InChIKeyKBGROXYMFTXUKX-UHFFFAOYSA-N
XLogP2.53
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Related Compounds

N-[[5-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55070016
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine
CID 62890974
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpropan-1-amine
CID 55070945
N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62439919
N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine
CID 106906203
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-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62439132
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine
CID 79245125
(8aR)-1-[(5-ethylfuran-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 133142470
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
1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 65324762
2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide
CID 105351843

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 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) is N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN2CCOC3CCCC32)o1.
What is the InChIKey of N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is KBGROXYMFTXUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-8-17-11-13-6-7-14(20-13)12-18-9-10-19-16-5-3-4-15(16)18/h6-7,15-17H,2-5,8-12H2,1H3.
What are the key properties of N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine?
N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62436042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).