[2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine

C13H18N2 — CID 79677460

IUPAC[2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine
SMILESNCc1ccccc1N1CC2(CCC2)C1
InChIInChI=1S/C13H18N2/c14-8-11-4-1-2-5-12(11)15-9-13(10-15)6-3-7-13/h1-2,4-5H,3,6-10,14H2
InChIKeyZPECULRBWKUZNW-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.14
Rot. Bonds2

About [2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine

[2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine (PubChem CID 79677460) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine
PubChem CID79677460
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name[2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine
SMILESNCc1ccccc1N1CC2(CCC2)C1
InChIInChI=1S/C13H18N2/c14-8-11-4-1-2-5-12(11)15-9-13(10-15)6-3-7-13/h1-2,4-5H,3,6-10,14H2
InChIKeyZPECULRBWKUZNW-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine
CID 115035536
2-(2-azaspiro[3.6]decan-2-yl)aniline
CID 79678213
[2-(2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]methanamine
CID 79677418
[2-(2-azaspiro[3.4]octan-2-yl)-6-fluorophenyl]methanamine
CID 79687416
[2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine
CID 107467223
[2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine
CID 107804131
(2-piperazin-1-ylphenyl)methanamine;hydrochloride
CID 174363608
[5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine
CID 79687951
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 43199915
2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline
CID 79689231
[2-(3-ethylazetidin-1-yl)phenyl]methanamine
CID 79676976
[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
CID 43164176

Frequently Asked Questions

What is the IUPAC name of [2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine?
The IUPAC name of [2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine (CID 79677460) is [2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine.
What is the SMILES notation for [2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine?
The canonical SMILES for [2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine is NCc1ccccc1N1CC2(CCC2)C1.
What is the InChIKey of [2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine?
The InChIKey is ZPECULRBWKUZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-8-11-4-1-2-5-12(11)15-9-13(10-15)6-3-7-13/h1-2,4-5H,3,6-10,14H2.
What are the key properties of [2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine?
[2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine has a molecular weight of 202.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine is sourced from PubChem (CID 79677460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).