N-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine

C10H20N2 — CID 116679522

IUPACN-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine
SMILESCC(CNCC(C)C)=C1CNC1
InChIInChI=1S/C10H20N2/c1-8(2)4-11-5-9(3)10-6-12-7-10/h8,11-12H,4-7H2,1-3H3
InChIKeyVLXOOQFSYYNABV-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.15
Rot. Bonds4

About N-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine

N-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine (PubChem CID 116679522) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine
PubChem CID116679522
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine
SMILESCC(CNCC(C)C)=C1CNC1
InChIInChI=1S/C10H20N2/c1-8(2)4-11-5-9(3)10-6-12-7-10/h8,11-12H,4-7H2,1-3H3
InChIKeyVLXOOQFSYYNABV-UHFFFAOYSA-N
XLogP1.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine (CID 116679522) is N-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine is CC(CNCC(C)C)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine?
The InChIKey is VLXOOQFSYYNABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)4-11-5-9(3)10-6-12-7-10/h8,11-12H,4-7H2,1-3H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-ylidene)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 116679522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).