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

C8H18N2 — CID 138747102

IUPAC1-(3-propan-2-ylazetidin-1-yl)ethanamine
SMILESCC(C)C1CN(C(C)N)C1
InChIInChI=1S/C8H18N2/c1-6(2)8-4-10(5-8)7(3)9/h6-8H,4-5,9H2,1-3H3
InChIKeyAUWHEGJYJCTYIH-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.88
Rot. Bonds2

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

1-(3-propan-2-ylazetidin-1-yl)ethanamine (PubChem CID 138747102) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-(3-propan-2-ylazetidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-propan-2-ylazetidin-1-yl)ethanamine
PubChem CID138747102
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-(3-propan-2-ylazetidin-1-yl)ethanamine
SMILESCC(C)C1CN(C(C)N)C1
InChIInChI=1S/C8H18N2/c1-6(2)8-4-10(5-8)7(3)9/h6-8H,4-5,9H2,1-3H3
InChIKeyAUWHEGJYJCTYIH-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylazetidin-1-yl)ethanamine?
The IUPAC name of 1-(3-propan-2-ylazetidin-1-yl)ethanamine (CID 138747102) is 1-(3-propan-2-ylazetidin-1-yl)ethanamine.
What is the SMILES notation for 1-(3-propan-2-ylazetidin-1-yl)ethanamine?
The canonical SMILES for 1-(3-propan-2-ylazetidin-1-yl)ethanamine is CC(C)C1CN(C(C)N)C1.
What is the InChIKey of 1-(3-propan-2-ylazetidin-1-yl)ethanamine?
The InChIKey is AUWHEGJYJCTYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6(2)8-4-10(5-8)7(3)9/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 1-(3-propan-2-ylazetidin-1-yl)ethanamine?
1-(3-propan-2-ylazetidin-1-yl)ethanamine has a molecular weight of 142.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylazetidin-1-yl)ethanamine is sourced from PubChem (CID 138747102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).