3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine

C13H28N2 — CID 115306389

IUPAC3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CC(CC)(CC)C1
InChIInChI=1S/C13H28N2/c1-5-12(6-2)9-15(10-12)11-13(14,7-3)8-4/h5-11,14H2,1-4H3
InChIKeyCQSANRALCOIJHZ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds6

About 3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine

3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine (PubChem CID 115306389) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine
PubChem CID115306389
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CC(CC)(CC)C1
InChIInChI=1S/C13H28N2/c1-5-12(6-2)9-15(10-12)11-13(14,7-3)8-4/h5-11,14H2,1-4H3
InChIKeyCQSANRALCOIJHZ-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine?
The IUPAC name of 3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine (CID 115306389) is 3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine is CCC(N)(CC)CN1CC(CC)(CC)C1.
What is the InChIKey of 3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine?
The InChIKey is CQSANRALCOIJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-12(6-2)9-15(10-12)11-13(14,7-3)8-4/h5-11,14H2,1-4H3.
What are the key properties of 3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine?
3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine is sourced from PubChem (CID 115306389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).