(E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine

C12H21N3 — CID 176921652

IUPAC(E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine
SMILES[H]/N=C/C(=C(/C)CCC)N1CC2(CNC2)C1
InChIInChI=1S/C12H21N3/c1-3-4-10(2)11(5-13)15-8-12(9-15)6-14-7-12/h5,13-14H,3-4,6-9H2,1-2H3/b11-10+,13-5+
InChIKeyAHNCBFNISRLREH-YNAFNXDGSA-N
MW207.32 g/mol
LogP1.62
Rot. Bonds4

About (E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine

(E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine (PubChem CID 176921652) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine
PubChem CID176921652
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine
SMILES[H]/N=C/C(=C(/C)CCC)N1CC2(CNC2)C1
InChIInChI=1S/C12H21N3/c1-3-4-10(2)11(5-13)15-8-12(9-15)6-14-7-12/h5,13-14H,3-4,6-9H2,1-2H3/b11-10+,13-5+
InChIKeyAHNCBFNISRLREH-YNAFNXDGSA-N
XLogP1.62
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine?
The IUPAC name of (E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine (CID 176921652) is (E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine.
What is the SMILES notation for (E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine?
The canonical SMILES for (E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine is [H]/N=C/C(=C(/C)CCC)N1CC2(CNC2)C1.
What is the InChIKey of (E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine?
The InChIKey is AHNCBFNISRLREH-YNAFNXDGSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-10(2)11(5-13)15-8-12(9-15)6-14-7-12/h5,13-14H,3-4,6-9H2,1-2H3/b11-10+,13-5+.
What are the key properties of (E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine?
(E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine has a molecular weight of 207.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine is sourced from PubChem (CID 176921652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).