N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine

C17H26N2 — CID 106913336

IUPACN-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CC3(CCCC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-14(2)18-11-15-5-7-16(8-6-15)19-12-17(13-19)9-3-4-10-17/h5-8,14,18H,3-4,9-13H2,1-2H3
InChIKeyVEIJPXVSYIOURN-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.57
Rot. Bonds4

About N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine

N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine (PubChem CID 106913336) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine
PubChem CID106913336
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CC3(CCCC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-14(2)18-11-15-5-7-16(8-6-15)19-12-17(13-19)9-3-4-10-17/h5-8,14,18H,3-4,9-13H2,1-2H3
InChIKeyVEIJPXVSYIOURN-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine (CID 106913336) is N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(N2CC3(CCCC3)C2)cc1.
What is the InChIKey of N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine?
The InChIKey is VEIJPXVSYIOURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14(2)18-11-15-5-7-16(8-6-15)19-12-17(13-19)9-3-4-10-17/h5-8,14,18H,3-4,9-13H2,1-2H3.
What are the key properties of N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine?
N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine has a molecular weight of 258.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-azaspiro[3.4]octan-2-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 106913336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).