4-methyl-4-pentylazetidin-2-amine

C9H20N2 — CID 167502618

IUPAC4-methyl-4-pentylazetidin-2-amine
SMILESCCCCCC1(C)CC(N)N1
InChIInChI=1S/C9H20N2/c1-3-4-5-6-9(2)7-8(10)11-9/h8,11H,3-7,10H2,1-2H3
InChIKeyBLUPVGRDWAJXGR-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.60
Rot. Bonds4

About 4-methyl-4-pentylazetidin-2-amine

4-methyl-4-pentylazetidin-2-amine (PubChem CID 167502618) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-methyl-4-pentylazetidin-2-amine.

Molecular Properties

Compound Name4-methyl-4-pentylazetidin-2-amine
PubChem CID167502618
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name4-methyl-4-pentylazetidin-2-amine
SMILESCCCCCC1(C)CC(N)N1
InChIInChI=1S/C9H20N2/c1-3-4-5-6-9(2)7-8(10)11-9/h8,11H,3-7,10H2,1-2H3
InChIKeyBLUPVGRDWAJXGR-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-pentylazetidin-2-amine?
The IUPAC name of 4-methyl-4-pentylazetidin-2-amine (CID 167502618) is 4-methyl-4-pentylazetidin-2-amine.
What is the SMILES notation for 4-methyl-4-pentylazetidin-2-amine?
The canonical SMILES for 4-methyl-4-pentylazetidin-2-amine is CCCCCC1(C)CC(N)N1.
What is the InChIKey of 4-methyl-4-pentylazetidin-2-amine?
The InChIKey is BLUPVGRDWAJXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-4-5-6-9(2)7-8(10)11-9/h8,11H,3-7,10H2,1-2H3.
What are the key properties of 4-methyl-4-pentylazetidin-2-amine?
4-methyl-4-pentylazetidin-2-amine has a molecular weight of 156.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-pentylazetidin-2-amine is sourced from PubChem (CID 167502618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).