2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline

C15H22N2 — CID 79689000

IUPAC2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline
SMILESNc1ccccc1CN1CC2(CCCCC2)C1
InChIInChI=1S/C15H22N2/c16-14-7-3-2-6-13(14)10-17-11-15(12-17)8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-12,16H2
InChIKeyCIAUGBJXKXLOLG-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.03
Rot. Bonds2

About 2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline

2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline (PubChem CID 79689000) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline
PubChem CID79689000
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline
SMILESNc1ccccc1CN1CC2(CCCCC2)C1
InChIInChI=1S/C15H22N2/c16-14-7-3-2-6-13(14)10-17-11-15(12-17)8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-12,16H2
InChIKeyCIAUGBJXKXLOLG-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline
CID 79689231
[2-(2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]methanamine
CID 79677418
3-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-methylaniline
CID 103111509
2-(2-azaspiro[3.6]decan-2-yl)aniline
CID 79678213
3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline
CID 79689222
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]aniline
CID 107453436
2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline
CID 167795344
4-[(2-aminophenyl)methyl]piperazine-2,6-dione
CID 66085238
2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline
CID 114279179
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
3-(2-azaspiro[3.3]heptan-2-ylmethyl)-6-chloropyridin-2-amine
CID 165403446
3-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline
CID 79688073

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline?
The IUPAC name of 2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline (CID 79689000) is 2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline.
What is the SMILES notation for 2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline?
The canonical SMILES for 2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline is Nc1ccccc1CN1CC2(CCCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline?
The InChIKey is CIAUGBJXKXLOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-14-7-3-2-6-13(14)10-17-11-15(12-17)8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-12,16H2.
What are the key properties of 2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline?
2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline has a molecular weight of 230.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline is sourced from PubChem (CID 79689000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).