4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine

C14H21N3 — CID 166909676

IUPAC4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine
SMILESCNc1cc(N2CCC2)ccc1NC1CCC1
InChIInChI=1S/C14H21N3/c1-15-14-10-12(17-8-3-9-17)6-7-13(14)16-11-4-2-5-11/h6-7,10-11,15-16H,2-5,8-9H2,1H3
InChIKeyDQBKAXIWJRGXTH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.90
Rot. Bonds4

About 4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine

4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine (PubChem CID 166909676) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine
PubChem CID166909676
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine
SMILESCNc1cc(N2CCC2)ccc1NC1CCC1
InChIInChI=1S/C14H21N3/c1-15-14-10-12(17-8-3-9-17)6-7-13(14)16-11-4-2-5-11/h6-7,10-11,15-16H,2-5,8-9H2,1H3
InChIKeyDQBKAXIWJRGXTH-UHFFFAOYSA-N
XLogP2.90
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine (CID 166909676) is 4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine is CNc1cc(N2CCC2)ccc1NC1CCC1.
What is the InChIKey of 4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine?
The InChIKey is DQBKAXIWJRGXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-15-14-10-12(17-8-3-9-17)6-7-13(14)16-11-4-2-5-11/h6-7,10-11,15-16H,2-5,8-9H2,1H3.
What are the key properties of 4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine?
4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-1-N-cyclobutyl-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 166909676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).