(3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol

C14H22N2O — CID 144515973

IUPAC(3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol
SMILESC=C(N)/C=C(/CN1CCC2(CCC2)C1)C(=C)O
InChIInChI=1S/C14H22N2O/c1-11(15)8-13(12(2)17)9-16-7-6-14(10-16)4-3-5-14/h8,17H,1-7,9-10,15H2/b13-8-
InChIKeyIBOSAYGSXYPCAC-JYRVWZFOSA-N
MW234.34 g/mol
LogP2.33
Rot. Bonds4

About (3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol

(3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol (PubChem CID 144515973) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol
PubChem CID144515973
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol
SMILESC=C(N)/C=C(/CN1CCC2(CCC2)C1)C(=C)O
InChIInChI=1S/C14H22N2O/c1-11(15)8-13(12(2)17)9-16-7-6-14(10-16)4-3-5-14/h8,17H,1-7,9-10,15H2/b13-8-
InChIKeyIBOSAYGSXYPCAC-JYRVWZFOSA-N
XLogP2.33
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(2-azaspiro[4.4]nonan-2-ylmethyl)prop-2-enoic acid
CID 130516454
6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane
CID 130636839
6-(iodomethyl)-6-azaspiro[3.4]octane
CID 174289662
8-methyl-2-[(E)-2-methylbut-2-enyl]-2-azaspiro[4.5]decane
CID 142354267
2-(2-amino-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid
CID 163812899
3-(2-azaspiro[4.5]decan-2-yl)propanoic acid
CID 119138157
2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde
CID 130986180
[1-(2-azaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]methanamine
CID 166178279
3-(5-azaspiro[2.4]heptan-5-yl)propan-1-ol
CID 16736944
6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane
CID 156713687
(2S)-1-(2-azaspiro[4.5]decan-2-yl)propan-2-amine
CID 130516410
2-(2-azaspiro[4.4]nonan-2-yl)-1-(4-bromophenyl)ethanone
CID 114279412

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol (CID 144515973) is (3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol is C=C(N)/C=C(/CN1CCC2(CCC2)C1)C(=C)O.
What is the InChIKey of (3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol?
The InChIKey is IBOSAYGSXYPCAC-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(15)8-13(12(2)17)9-16-7-6-14(10-16)4-3-5-14/h8,17H,1-7,9-10,15H2/b13-8-.
What are the key properties of (3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol?
(3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol has a molecular weight of 234.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-amino-3-(6-azaspiro[3.4]octan-6-ylmethyl)hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 144515973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).