1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine

C9H15N3 — CID 131043183

IUPAC1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine
SMILESCN1CC(NCc2cc[nH]c2)C1
InChIInChI=1S/C9H15N3/c1-12-6-9(7-12)11-5-8-2-3-10-4-8/h2-4,9-11H,5-7H2,1H3
InChIKeyHUQGEIDPOHSTSW-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.42
Rot. Bonds3

About 1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine

1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine (PubChem CID 131043183) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine
PubChem CID131043183
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine
SMILESCN1CC(NCc2cc[nH]c2)C1
InChIInChI=1S/C9H15N3/c1-12-6-9(7-12)11-5-8-2-3-10-4-8/h2-4,9-11H,5-7H2,1H3
InChIKeyHUQGEIDPOHSTSW-UHFFFAOYSA-N
XLogP0.42
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-amine
CID 130692968
N-(1H-pyrrol-3-ylmethyl)cyclobutanamine
CID 66409637
N-(1H-pyrrol-3-ylmethyl)cyclopent-3-en-1-amine
CID 115696355
3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol
CID 66408120
N-(1H-pyrrol-3-ylmethyl)oxan-3-amine
CID 66409421
4-(1H-pyrrol-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 115149093
N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine
CID 130658457
1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66410289
N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408115
tert-butyl (3S)-3-(1H-pyrrol-3-ylmethylamino)piperidine-1-carboxylate
CID 75434853
2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine
CID 130628513
N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine
CID 129264272

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine?
The IUPAC name of 1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine (CID 131043183) is 1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine.
What is the SMILES notation for 1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine?
The canonical SMILES for 1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine is CN1CC(NCc2cc[nH]c2)C1.
What is the InChIKey of 1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine?
The InChIKey is HUQGEIDPOHSTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-6-9(7-12)11-5-8-2-3-10-4-8/h2-4,9-11H,5-7H2,1H3.
What are the key properties of 1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine?
1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine has a molecular weight of 165.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 131043183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).