N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine

C10H22N2 — CID 130806357

IUPACN,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine
SMILESCN(CC1(C)CNC1)C(C)(C)C
InChIInChI=1S/C10H22N2/c1-9(2,3)12(5)8-10(4)6-11-7-10/h11H,6-8H2,1-5H3
InChIKeyZXZQMQGFLVGUCK-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.33
Rot. Bonds2

About N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine

N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine (PubChem CID 130806357) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine
PubChem CID130806357
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine
SMILESCN(CC1(C)CNC1)C(C)(C)C
InChIInChI=1S/C10H22N2/c1-9(2,3)12(5)8-10(4)6-11-7-10/h11H,6-8H2,1-5H3
InChIKeyZXZQMQGFLVGUCK-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine?
The IUPAC name of N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine (CID 130806357) is N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine is CN(CC1(C)CNC1)C(C)(C)C.
What is the InChIKey of N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine?
The InChIKey is ZXZQMQGFLVGUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2,3)12(5)8-10(4)6-11-7-10/h11H,6-8H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine?
N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3-methylazetidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 130806357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).