1-butan-2-yl-N-methylazetidin-3-amine

C8H18N2 — CID 117002866

IUPAC1-butan-2-yl-N-methylazetidin-3-amine
SMILESCCC(C)N1CC(NC)C1
InChIInChI=1S/C8H18N2/c1-4-7(2)10-5-8(6-10)9-3/h7-9H,4-6H2,1-3H3
InChIKeyHIFJSFZIFFQVJT-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.69
Rot. Bonds3

About 1-butan-2-yl-N-methylazetidin-3-amine

1-butan-2-yl-N-methylazetidin-3-amine (PubChem CID 117002866) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-butan-2-yl-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-butan-2-yl-N-methylazetidin-3-amine
PubChem CID117002866
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-butan-2-yl-N-methylazetidin-3-amine
SMILESCCC(C)N1CC(NC)C1
InChIInChI=1S/C8H18N2/c1-4-7(2)10-5-8(6-10)9-3/h7-9H,4-6H2,1-3H3
InChIKeyHIFJSFZIFFQVJT-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine
CID 166707583
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
CID 162493112
1-butan-2-yl-N-cyclopropyl-5-propylpiperidin-3-amine
CID 83991740
(2R,6R)-4-butan-2-yl-2,6-difluoromorpholine
CID 170006232
N-methyl-1-(3-methylpentan-2-yl)pyrrolidin-3-amine
CID 61463771
N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide
CID 112541903
1-butan-2-yl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997264
1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine
CID 83995888
2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol
CID 83995891
1-butan-2-yl-3-chloro-5-methylpiperidine
CID 130802847
N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine
CID 134267174

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-methylazetidin-3-amine?
The IUPAC name of 1-butan-2-yl-N-methylazetidin-3-amine (CID 117002866) is 1-butan-2-yl-N-methylazetidin-3-amine.
What is the SMILES notation for 1-butan-2-yl-N-methylazetidin-3-amine?
The canonical SMILES for 1-butan-2-yl-N-methylazetidin-3-amine is CCC(C)N1CC(NC)C1.
What is the InChIKey of 1-butan-2-yl-N-methylazetidin-3-amine?
The InChIKey is HIFJSFZIFFQVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-7(2)10-5-8(6-10)9-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-butan-2-yl-N-methylazetidin-3-amine?
1-butan-2-yl-N-methylazetidin-3-amine has a molecular weight of 142.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-methylazetidin-3-amine is sourced from PubChem (CID 117002866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).