N-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine

C15H30N2 — CID 114004177

IUPACN-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine
SMILESCC(CNCCCCCCC(C)C)=C1CNC1
InChIInChI=1S/C15H30N2/c1-13(2)8-6-4-5-7-9-16-10-14(3)15-11-17-12-15/h13,16-17H,4-12H2,1-3H3
InChIKeyGOAPJOFJNBADCQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.10
Rot. Bonds9

About N-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine

N-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine (PubChem CID 114004177) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine
PubChem CID114004177
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine
SMILESCC(CNCCCCCCC(C)C)=C1CNC1
InChIInChI=1S/C15H30N2/c1-13(2)8-6-4-5-7-9-16-10-14(3)15-11-17-12-15/h13,16-17H,4-12H2,1-3H3
InChIKeyGOAPJOFJNBADCQ-UHFFFAOYSA-N
XLogP3.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]-7-methyloctan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine (CID 114004177) is N-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine is CC(CNCCCCCCC(C)C)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine?
The InChIKey is GOAPJOFJNBADCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13(2)8-6-4-5-7-9-16-10-14(3)15-11-17-12-15/h13,16-17H,4-12H2,1-3H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]-7-methyloctan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.10, 9 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]-7-methyloctan-1-amine is sourced from PubChem (CID 114004177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).