N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine

C9H20N2 — CID 22896253

IUPACN-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine
SMILESCNC(C)C1CN(C(C)C)C1
InChIInChI=1S/C9H20N2/c1-7(2)11-5-9(6-11)8(3)10-4/h7-10H,5-6H2,1-4H3
InChIKeyJTFDRZCYAULZCR-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.93
Rot. Bonds3

About N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine

N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine (PubChem CID 22896253) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine
PubChem CID22896253
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine
SMILESCNC(C)C1CN(C(C)C)C1
InChIInChI=1S/C9H20N2/c1-7(2)11-5-9(6-11)8(3)10-4/h7-10H,5-6H2,1-4H3
InChIKeyJTFDRZCYAULZCR-UHFFFAOYSA-N
XLogP0.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine (CID 22896253) is N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine is CNC(C)C1CN(C(C)C)C1.
What is the InChIKey of N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine?
The InChIKey is JTFDRZCYAULZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-7(2)11-5-9(6-11)8(3)10-4/h7-10H,5-6H2,1-4H3.
What are the key properties of N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine?
N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine has a molecular weight of 156.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine is sourced from PubChem (CID 22896253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).