N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane

C11H28N2 — CID 166533180

IUPACN-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane
SMILESCCC.CCNCCC1(C)CNC1.[H][H]
InChIInChI=1S/C8H18N2.C3H8.H2/c1-3-9-5-4-8(2)6-10-7-8;1-3-2;/h9-10H,3-7H2,1-2H3;3H2,1-2H3;1H
InChIKeyLXJQSQSHUYTARX-UHFFFAOYSA-N
MW188.36 g/mol
LogP2.26
Rot. Bonds4

About N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane

N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane (PubChem CID 166533180) has the molecular formula C11H28N2 and a molecular weight of 188.36 g/mol. Its IUPAC name is N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane.

Molecular Properties

Compound NameN-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane
PubChem CID166533180
Molecular FormulaC11H28N2
Molecular Weight188.36 g/mol
Exact Mass188.23
IUPAC NameN-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane
SMILESCCC.CCNCCC1(C)CNC1.[H][H]
InChIInChI=1S/C8H18N2.C3H8.H2/c1-3-9-5-4-8(2)6-10-7-8;1-3-2;/h9-10H,3-7H2,1-2H3;3H2,1-2H3;1H
InChIKeyLXJQSQSHUYTARX-UHFFFAOYSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine
CID 20448447
3-Ethyl-3-methylazetidine
CID 23545028
2-fluoro-N,N-dimethyl-2-(3-methylazetidin-3-yl)ethanamine
CID 166077472
2-[3-(fluoromethyl)azetidin-3-yl]-N-methylethanamine
CID 156740759
2,6-Diazaspiro[3.4]octane, 2-ethyl-
CID 15107461
N-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine
CID 19083258
3,3-dimethyl-N-propylbutan-1-amine
CID 21304850
N-butyl-3,3-dimethylbutan-1-amine
CID 21304883
3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 21304891
N-isopentyl-3,3-dimethylbutan-1-amine
CID 21304892
(3,3-Dimethylbutyl)(ethyl)amine
CID 21412335
N'-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 21553775

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane?
The IUPAC name of N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane (CID 166533180) is N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane.
What is the SMILES notation for N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane?
The canonical SMILES for N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane is CCC.CCNCCC1(C)CNC1.[H][H].
What is the InChIKey of N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane?
The InChIKey is LXJQSQSHUYTARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C3H8.H2/c1-3-9-5-4-8(2)6-10-7-8;1-3-2;/h9-10H,3-7H2,1-2H3;3H2,1-2H3;1H.
What are the key properties of N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane?
N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane has a molecular weight of 188.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane is sourced from PubChem (CID 166533180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).