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

C8H18N2 — CID 22896250

IUPAC1-(1-propan-2-ylazetidin-3-yl)ethanamine
SMILESCC(N)C1CN(C(C)C)C1
InChIInChI=1S/C8H18N2/c1-6(2)10-4-8(5-10)7(3)9/h6-8H,4-5,9H2,1-3H3
InChIKeyRQQSXIGNEJMSSI-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.67
Rot. Bonds2

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

1-(1-propan-2-ylazetidin-3-yl)ethanamine (PubChem CID 22896250) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-(1-propan-2-ylazetidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-propan-2-ylazetidin-3-yl)ethanamine
PubChem CID22896250
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-(1-propan-2-ylazetidin-3-yl)ethanamine
SMILESCC(N)C1CN(C(C)C)C1
InChIInChI=1S/C8H18N2/c1-6(2)10-4-8(5-10)7(3)9/h6-8H,4-5,9H2,1-3H3
InChIKeyRQQSXIGNEJMSSI-UHFFFAOYSA-N
XLogP0.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylazetidin-3-yl)ethanamine?
The IUPAC name of 1-(1-propan-2-ylazetidin-3-yl)ethanamine (CID 22896250) is 1-(1-propan-2-ylazetidin-3-yl)ethanamine.
What is the SMILES notation for 1-(1-propan-2-ylazetidin-3-yl)ethanamine?
The canonical SMILES for 1-(1-propan-2-ylazetidin-3-yl)ethanamine is CC(N)C1CN(C(C)C)C1.
What is the InChIKey of 1-(1-propan-2-ylazetidin-3-yl)ethanamine?
The InChIKey is RQQSXIGNEJMSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6(2)10-4-8(5-10)7(3)9/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylazetidin-3-yl)ethanamine?
1-(1-propan-2-ylazetidin-3-yl)ethanamine has a molecular weight of 142.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylazetidin-3-yl)ethanamine is sourced from PubChem (CID 22896250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).