6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde

C14H18N2O — CID 176675557

IUPAC6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde
SMILESNCc1ccc(C2CC3(C2)CN(C=O)C3)cc1
InChIInChI=1S/C14H18N2O/c15-7-11-1-3-12(4-2-11)13-5-14(6-13)8-16(9-14)10-17/h1-4,10,13H,5-9,15H2
InChIKeyFVDWSMYIHMSOCW-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.48
Rot. Bonds3

About 6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde

6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde (PubChem CID 176675557) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde.

Molecular Properties

Compound Name6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde
PubChem CID176675557
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde
SMILESNCc1ccc(C2CC3(C2)CN(C=O)C3)cc1
InChIInChI=1S/C14H18N2O/c15-7-11-1-3-12(4-2-11)13-5-14(6-13)8-16(9-14)10-17/h1-4,10,13H,5-9,15H2
InChIKeyFVDWSMYIHMSOCW-UHFFFAOYSA-N
XLogP1.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 44371283
CID 44371283
CID 155821260
CID 155821260
CID 101184931
CID 101184931
CID 169002364
CID 169002364
CID 176165970
CID 176165970
CID 129825329
CID 129825329
CID 129825427
CID 129825427
CID 143561572
CID 143561572
CID 20664896
CID 20664896
CID 21275499
CID 21275499
CID 22605403
CID 22605403
CID 54463582
CID 54463582

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde?
The IUPAC name of 6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde (CID 176675557) is 6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde.
What is the SMILES notation for 6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde?
The canonical SMILES for 6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde is NCc1ccc(C2CC3(C2)CN(C=O)C3)cc1.
What is the InChIKey of 6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde?
The InChIKey is FVDWSMYIHMSOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-7-11-1-3-12(4-2-11)13-5-14(6-13)8-16(9-14)10-17/h1-4,10,13H,5-9,15H2.
What are the key properties of 6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde?
6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde has a molecular weight of 230.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carbaldehyde is sourced from PubChem (CID 176675557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).