4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine

C9H20N2 — CID 126980720

IUPAC4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine
SMILESCC(N)C(C)(C)CN1CCC1
InChIInChI=1S/C9H20N2/c1-8(10)9(2,3)7-11-5-4-6-11/h8H,4-7,10H2,1-3H3
InChIKeyHYPIELWVJMZFHU-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds3

About 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine

4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine (PubChem CID 126980720) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine
PubChem CID126980720
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine
SMILESCC(N)C(C)(C)CN1CCC1
InChIInChI=1S/C9H20N2/c1-8(10)9(2,3)7-11-5-4-6-11/h8H,4-7,10H2,1-3H3
InChIKeyHYPIELWVJMZFHU-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine (CID 126980720) is 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine is CC(N)C(C)(C)CN1CCC1.
What is the InChIKey of 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is HYPIELWVJMZFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(10)9(2,3)7-11-5-4-6-11/h8H,4-7,10H2,1-3H3.
What are the key properties of 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine?
4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 156.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 126980720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).