N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane

C25H55N3O3 — CID 167658090

IUPACN,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane
SMILESCC(C)OCCN(C)C.CCOC(C)C.CCOC1CN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C13H26N2O.C7H17NO.C5H12O/c1-4-16-13-9-15(10-13)12-5-7-14(8-6-12)11(2)3;1-7(2)9-6-5-8(3)4;1-4-6-5(2)3/h11-13H,4-10H2,1-3H3;7H,5-6H2,1-4H3;5H,4H2,1-3H3
InChIKeyROEKTZFGLLEWCM-UHFFFAOYSA-N
MW445.73 g/mol
LogP3.98
Rot. Bonds10

About N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane

N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane (PubChem CID 167658090) has the molecular formula C25H55N3O3 and a molecular weight of 445.73 g/mol. Its IUPAC name is N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane.

Molecular Properties

Compound NameN,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane
PubChem CID167658090
Molecular FormulaC25H55N3O3
Molecular Weight445.73 g/mol
Exact Mass445.42
IUPAC NameN,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane
SMILESCC(C)OCCN(C)C.CCOC(C)C.CCOC1CN(C2CCN(C(C)C)CC2)C1
InChIInChI=1S/C13H26N2O.C7H17NO.C5H12O/c1-4-16-13-9-15(10-13)12-5-7-14(8-6-12)11(2)3;1-7(2)9-6-5-8(3)4;1-4-6-5(2)3/h11-13H,4-10H2,1-3H3;7H,5-6H2,1-4H3;5H,4H2,1-3H3
InChIKeyROEKTZFGLLEWCM-UHFFFAOYSA-N
XLogP3.98
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.73
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 177158447
(2S)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine
CID 177158474
(2R)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine
CID 177158512
(2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine
CID 177158527
2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine
CID 177158582
(2R)-2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine
CID 177158653
(2S)-2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine
CID 177158752
(2R)-4-ethyl-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]morpholine
CID 177158766
(2S)-2-[(1R)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine
CID 177158870
(2R)-2-[(1S)-1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholine
CID 177158883
4-Ethyl-2-[1-(3-fluoroazetidin-1-yl)ethyl]morpholine
CID 177158511
2-[1-(3-Fluoroazetidin-1-yl)ethyl]-4-methylmorpholine
CID 177158595

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane?
The IUPAC name of N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane (CID 167658090) is N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane.
What is the SMILES notation for N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane?
The canonical SMILES for N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane is CC(C)OCCN(C)C.CCOC(C)C.CCOC1CN(C2CCN(C(C)C)CC2)C1.
What is the InChIKey of N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane?
The InChIKey is ROEKTZFGLLEWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C7H17NO.C5H12O/c1-4-16-13-9-15(10-13)12-5-7-14(8-6-12)11(2)3;1-7(2)9-6-5-8(3)4;1-4-6-5(2)3/h11-13H,4-10H2,1-3H3;7H,5-6H2,1-4H3;5H,4H2,1-3H3.
What are the key properties of N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane?
N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane has a molecular weight of 445.73 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane is sourced from PubChem (CID 167658090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).