N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine

C16H31N3O — CID 103060481

IUPACN-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN1CCC2CCC(C1)N2C
InChIInChI=1S/C16H31N3O/c1-3-17-16-7-9-20-12-13(16)10-19-8-6-14-4-5-15(11-19)18(14)2/h13-17H,3-12H2,1-2H3
InChIKeyHLSCBLXTQLJPTL-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.17
Rot. Bonds4

About N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine

N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine (PubChem CID 103060481) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine
PubChem CID103060481
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN1CCC2CCC(C1)N2C
InChIInChI=1S/C16H31N3O/c1-3-17-16-7-9-20-12-13(16)10-19-8-6-14-4-5-15(11-19)18(14)2/h13-17H,3-12H2,1-2H3
InChIKeyHLSCBLXTQLJPTL-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine with MolForge

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Related Compounds

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-ethyloxan-4-amine
CID 103060558
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine
CID 79171064
N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine
CID 103059767
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine
CID 103060560
N-ethyl-4-[(2-methylmorpholin-4-yl)methyl]oxolan-3-amine
CID 66258164
1-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 66259336
N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 107395161
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethyloxan-4-amine
CID 103060355
N-ethyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxolan-3-amine
CID 66258170
N-ethyl-3-[(2-methylazepan-1-yl)methyl]oxan-4-amine
CID 103060277
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine (CID 103060481) is N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine is CCNC1CCOCC1CN1CCC2CCC(C1)N2C.
What is the InChIKey of N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine?
The InChIKey is HLSCBLXTQLJPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-17-16-7-9-20-12-13(16)10-19-8-6-14-4-5-15(11-19)18(14)2/h13-17H,3-12H2,1-2H3.
What are the key properties of N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine?
N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine has a molecular weight of 281.44 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103060481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).