ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine

C16H29N3 — CID 171069334

IUPACethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)N1CCC2(CC1)CN(C)C2.CC
InChIInChI=1S/C14H23N3.C2H6/c1-4-5-6-13(15-2)17-9-7-14(8-10-17)11-16(3)12-14;1-2/h4-6H,2,7-12H2,1,3H3;1-2H3/b5-4-,13-6+;
InChIKeyBQMZJJGWAMQEGB-PMBKMLQFSA-N
MW263.43 g/mol
LogP3.16
Rot. Bonds3

About ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine

ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine (PubChem CID 171069334) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine
PubChem CID171069334
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Nameethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)N1CCC2(CC1)CN(C)C2.CC
InChIInChI=1S/C14H23N3.C2H6/c1-4-5-6-13(15-2)17-9-7-14(8-10-17)11-16(3)12-14;1-2/h4-6H,2,7-12H2,1,3H3;1-2H3/b5-4-,13-6+;
InChIKeyBQMZJJGWAMQEGB-PMBKMLQFSA-N
XLogP3.16
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine?
The IUPAC name of ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine (CID 171069334) is ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine?
The canonical SMILES for ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine is C=N/C(=C\C=C/C)N1CCC2(CC1)CN(C)C2.CC.
What is the InChIKey of ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine?
The InChIKey is BQMZJJGWAMQEGB-PMBKMLQFSA-N. The full InChI is InChI=1S/C14H23N3.C2H6/c1-4-5-6-13(15-2)17-9-7-14(8-10-17)11-16(3)12-14;1-2/h4-6H,2,7-12H2,1,3H3;1-2H3/b5-4-,13-6+;.
What are the key properties of ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine?
ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine has a molecular weight of 263.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 171069334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).