N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine

C17H27N3O — CID 62289409

IUPACN-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(N2CCOC3CCCCC32)ccn1
InChIInChI=1S/C17H27N3O/c1-13(2)19-12-14-11-15(7-8-18-14)20-9-10-21-17-6-4-3-5-16(17)20/h7-8,11,13,16-17,19H,3-6,9-10,12H2,1-2H3
InChIKeyYWHIGPMZJWBPPI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.73
Rot. Bonds4

About N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine

N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62289409) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62289409
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(N2CCOC3CCCCC32)ccn1
InChIInChI=1S/C17H27N3O/c1-13(2)19-12-14-11-15(7-8-18-14)20-9-10-21-17-6-4-3-5-16(17)20/h7-8,11,13,16-17,19H,3-6,9-10,12H2,1-2H3
InChIKeyYWHIGPMZJWBPPI-UHFFFAOYSA-N
XLogP2.73
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 45250208
(1-Ethylpropyl)(2-morpholin-4-yl-2-pyridin-2-ylethyl)amine
CID 50962930
N-[(4-methylmorpholin-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 53584337
1-(4-ethylmorpholin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 53592771
4-N-[1-(oxolan-2-yl)ethyl]pyridine-3,4-diamine
CID 43533836
6-[2-(2-Methylmorpholin-4-yl)ethyl]pyridin-3-amine
CID 107339942
2,6-Dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine
CID 2912309
3-(Pyridin-2-yl)morpholine
CID 54247101
N4-(2-Morpholinoethyl)pyridine-3,4-diamine
CID 14174124
2-[(3-Ethoxypiperidin-1-yl)methyl]pyridine
CID 56794054
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one
CID 71935370
3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine
CID 75381355

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine (CID 62289409) is N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(N2CCOC3CCCCC32)ccn1.
What is the InChIKey of N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is YWHIGPMZJWBPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)19-12-14-11-15(7-8-18-14)20-9-10-21-17-6-4-3-5-16(17)20/h7-8,11,13,16-17,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine?
N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62289409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).