N-methyl-N-prop-2-ynylazetidin-3-amine

C7H12N2 — CID 66185274

IUPACN-methyl-N-prop-2-ynylazetidin-3-amine
SMILESC#CCN(C)C1CNC1
InChIInChI=1S/C7H12N2/c1-3-4-9(2)7-5-8-6-7/h1,7-8H,4-6H2,2H3
InChIKeyUJELPTAYBBBTSG-UHFFFAOYSA-N
MW124.19 g/mol
LogP-0.48
Rot. Bonds2

About N-methyl-N-prop-2-ynylazetidin-3-amine

N-methyl-N-prop-2-ynylazetidin-3-amine (PubChem CID 66185274) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynylazetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynylazetidin-3-amine
PubChem CID66185274
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methyl-N-prop-2-ynylazetidin-3-amine
SMILESC#CCN(C)C1CNC1
InChIInChI=1S/C7H12N2/c1-3-4-9(2)7-5-8-6-7/h1,7-8H,4-6H2,2H3
InChIKeyUJELPTAYBBBTSG-UHFFFAOYSA-N
XLogP-0.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-prop-2-ynylthiolan-3-amine
CID 61343229
1-hydroxy-N,2,2,6,6-pentamethyl-N-prop-2-ynylpiperidin-4-amine
CID 91177291
N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane
CID 145168742
N-(3,3-dimethylbutyl)-N-methylazetidin-3-amine
CID 66186139
ethane;N-methyl-N-propylazetidin-3-amine
CID 144899605
N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine
CID 84660688
N-(2,2-difluoropropyl)-N-methylazetidin-3-amine
CID 84651854
N-but-3-ynyl-N-propylazetidin-3-amine
CID 66214886
1-[azetidin-3-yl(methyl)amino]-3-fluoropropan-2-ol
CID 131219839
N-methyl-N-(piperidin-4-ylmethyl)azetidin-3-amine
CID 131110831
ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine
CID 163376293
N-methyl-N-nonylazetidin-3-amine
CID 66186670

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynylazetidin-3-amine?
The IUPAC name of N-methyl-N-prop-2-ynylazetidin-3-amine (CID 66185274) is N-methyl-N-prop-2-ynylazetidin-3-amine.
What is the SMILES notation for N-methyl-N-prop-2-ynylazetidin-3-amine?
The canonical SMILES for N-methyl-N-prop-2-ynylazetidin-3-amine is C#CCN(C)C1CNC1.
What is the InChIKey of N-methyl-N-prop-2-ynylazetidin-3-amine?
The InChIKey is UJELPTAYBBBTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-9(2)7-5-8-6-7/h1,7-8H,4-6H2,2H3.
What are the key properties of N-methyl-N-prop-2-ynylazetidin-3-amine?
N-methyl-N-prop-2-ynylazetidin-3-amine has a molecular weight of 124.19 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynylazetidin-3-amine is sourced from PubChem (CID 66185274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).