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

C16H26N2OS — CID 107556334

IUPACN-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN2CCOC3CCCC32)s1
InChIInChI=1S/C16H26N2OS/c1-12(2)17-10-13-6-7-14(20-13)11-18-8-9-19-16-5-3-4-15(16)18/h6-7,12,15-17H,3-5,8-11H2,1-2H3
InChIKeyHAXRIINGIREQBC-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.00
Rot. Bonds5

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

N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107556334) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID107556334
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN2CCOC3CCCC32)s1
InChIInChI=1S/C16H26N2OS/c1-12(2)17-10-13-6-7-14(20-13)11-18-8-9-19-16-5-3-4-15(16)18/h6-7,12,15-17H,3-5,8-11H2,1-2H3
InChIKeyHAXRIINGIREQBC-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

4-[(5-bromothiophen-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 48542146
N-[[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556963
2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[(5-ethylthiophen-2-yl)methyl]acetamide
CID 100892321
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555391
N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555866
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555984
N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 62260424
N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine
CID 106906203
1-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 55072456
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62448418
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
1-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]-N-methylmethanamine
CID 106906421

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)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine (CID 107556334) is N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CN2CCOC3CCCC32)s1.
What is the InChIKey of N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is HAXRIINGIREQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12(2)17-10-13-6-7-14(20-13)11-18-8-9-19-16-5-3-4-15(16)18/h6-7,12,15-17H,3-5,8-11H2,1-2H3.
What are the key properties of N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine?
N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 294.46 g/mol, XLogP of 3.00, 5 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)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107556334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).