N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine

C19H37N3O — CID 46996949

IUPACN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine
SMILESCCN(CCCN1CCOCC1)C[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C19H37N3O/c1-2-20(9-6-10-21-13-15-23-16-14-21)17-18-7-5-12-22-11-4-3-8-19(18)22/h18-19H,2-17H2,1H3/t18-,19+/m0/s1
InChIKeyXMCUUFJJPPTFEY-RBUKOAKNSA-N
MW323.53 g/mol
LogP2.30
Rot. Bonds7

About N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 46996949) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine
PubChem CID46996949
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine
SMILESCCN(CCCN1CCOCC1)C[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C19H37N3O/c1-2-20(9-6-10-21-13-15-23-16-14-21)17-18-7-5-12-22-11-4-3-8-19(18)22/h18-19H,2-17H2,1H3/t18-,19+/m0/s1
InChIKeyXMCUUFJJPPTFEY-RBUKOAKNSA-N
XLogP2.30
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine
CID 14661126
1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol
CID 111496505
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
4-[[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl-ethylamino]methyl]benzoic acid
CID 56910815
N,N-diethyl-3-methyl-6-morpholin-4-ylhexan-1-amine
CID 142218113
9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 56903234
N-methyl-3-morpholin-4-yl-N-propylpropan-1-amine
CID 146735339
N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide
CID 63175576
N-(2-morpholin-4-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967639
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]ethanamine
CID 66523440
3-[2-hydroxyethyl(3-morpholin-4-ylpropyl)amino]propan-1-ol
CID 23551083
2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
CID 62615538

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine (CID 46996949) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine is CCN(CCCN1CCOCC1)C[C@@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is XMCUUFJJPPTFEY-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H37N3O/c1-2-20(9-6-10-21-13-15-23-16-14-21)17-18-7-5-12-22-11-4-3-8-19(18)22/h18-19H,2-17H2,1H3/t18-,19+/m0/s1.
What are the key properties of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine?
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 323.53 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 46996949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).