2-(1-propan-2-ylazetidin-3-yl)propan-1-amine

C9H20N2 — CID 22896269

IUPAC2-(1-propan-2-ylazetidin-3-yl)propan-1-amine
SMILESCC(CN)C1CN(C(C)C)C1
InChIInChI=1S/C9H20N2/c1-7(2)11-5-9(6-11)8(3)4-10/h7-9H,4-6,10H2,1-3H3
InChIKeyXTQHJDDVEDYGKY-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.92
Rot. Bonds3

About 2-(1-propan-2-ylazetidin-3-yl)propan-1-amine

2-(1-propan-2-ylazetidin-3-yl)propan-1-amine (PubChem CID 22896269) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-(1-propan-2-ylazetidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1-propan-2-ylazetidin-3-yl)propan-1-amine
PubChem CID22896269
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-(1-propan-2-ylazetidin-3-yl)propan-1-amine
SMILESCC(CN)C1CN(C(C)C)C1
InChIInChI=1S/C9H20N2/c1-7(2)11-5-9(6-11)8(3)4-10/h7-9H,4-6,10H2,1-3H3
InChIKeyXTQHJDDVEDYGKY-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3-fluoroazetidin-1-yl)-N,3-dimethylbutan-2-amine
CID 153708929
2-Fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine
CID 105431474
3-Fluoro-3-(1-propan-2-ylazetidin-3-yl)propan-1-amine
CID 105435908
2-(1-Tert-butylazetidin-3-yl)-2-fluoroethanamine
CID 105435909
2,2-Difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine
CID 105437491
N-[2-(azetidin-3-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 105946086
N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 116679797
2-(azetidin-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 116679798
N-(azetidin-3-ylmethyl)-N-methylpropan-2-amine
CID 21024110
1-(1-Propan-2-ylazetidin-3-yl)ethanamine
CID 22896250
N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine
CID 22896253
1,3-Di(propan-2-yl)azetidine
CID 22896256

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylazetidin-3-yl)propan-1-amine?
The IUPAC name of 2-(1-propan-2-ylazetidin-3-yl)propan-1-amine (CID 22896269) is 2-(1-propan-2-ylazetidin-3-yl)propan-1-amine.
What is the SMILES notation for 2-(1-propan-2-ylazetidin-3-yl)propan-1-amine?
The canonical SMILES for 2-(1-propan-2-ylazetidin-3-yl)propan-1-amine is CC(CN)C1CN(C(C)C)C1.
What is the InChIKey of 2-(1-propan-2-ylazetidin-3-yl)propan-1-amine?
The InChIKey is XTQHJDDVEDYGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-7(2)11-5-9(6-11)8(3)4-10/h7-9H,4-6,10H2,1-3H3.
What are the key properties of 2-(1-propan-2-ylazetidin-3-yl)propan-1-amine?
2-(1-propan-2-ylazetidin-3-yl)propan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylazetidin-3-yl)propan-1-amine is sourced from PubChem (CID 22896269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).