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

C14H23N3 — CID 171069335

IUPACN-[(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
InChIInChI=1S/C14H23N3/c1-4-5-6-13(15-2)17-9-7-14(8-10-17)11-16(3)12-14/h4-6H,2,7-12H2,1,3H3/b5-4-,13-6+
InChIKeyXMDUJBNPAYQKKL-VRPUZZSBSA-N
MW233.36 g/mol
LogP2.13
Rot. Bonds3

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

N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine (PubChem CID 171069335) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine
PubChem CID171069335
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(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
InChIInChI=1S/C14H23N3/c1-4-5-6-13(15-2)17-9-7-14(8-10-17)11-16(3)12-14/h4-6H,2,7-12H2,1,3H3/b5-4-,13-6+
InChIKeyXMDUJBNPAYQKKL-VRPUZZSBSA-N
XLogP2.13
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.13
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'}

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Related Compounds

N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 91333878
N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane
CID 143028537
ethane;N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine
CID 171069334
N-[(1Z)-1-(2-methyl-7-azaspiro[3.5]nonan-7-yl)buta-1,3-dienyl]methanimine
CID 176699057
N-[(1Z)-1-(4-ethylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 176699174
N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 143028538

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine (CID 171069335) is 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 N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine?
The canonical SMILES for 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.
What is the InChIKey of N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine?
The InChIKey is XMDUJBNPAYQKKL-VRPUZZSBSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-5-6-13(15-2)17-9-7-14(8-10-17)11-16(3)12-14/h4-6H,2,7-12H2,1,3H3/b5-4-,13-6+.
What are the key properties of N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine has a molecular weight of 233.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-1-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 171069335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).