[3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine

C17H26N2 — CID 79687008

IUPAC[3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)cc1N1CC2(CCCCCC2)C1
InChIInChI=1S/C17H26N2/c1-14-6-7-15(11-18)10-16(14)19-12-17(13-19)8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11-13,18H2,1H3
InChIKeyVZGYNFRYTNAGJF-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.61
Rot. Bonds2

About [3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine

[3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine (PubChem CID 79687008) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is [3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine
PubChem CID79687008
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name[3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)cc1N1CC2(CCCCCC2)C1
InChIInChI=1S/C17H26N2/c1-14-6-7-15(11-18)10-16(14)19-12-17(13-19)8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11-13,18H2,1H3
InChIKeyVZGYNFRYTNAGJF-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione
CID 62103760
3-(2-azaspiro[3.6]decan-2-yl)-4-methylbenzoic acid
CID 79686719
5-(5-iodo-2-methylphenyl)-5-azaspiro[2.3]hexane
CID 130498028
[4-methyl-3-(triazol-2-yl)phenyl]methanamine
CID 84661540
5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline
CID 104757870
7-(5-ethyl-2-methylphenyl)-2-methyl-2,7-diazaspiro[3.5]nonane
CID 167015494
[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine
CID 104848471
2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine
CID 79686583
4-[5-(aminomethyl)-2-methylphenyl]-1,2,4-triazolidine-3,5-dione
CID 107409368
[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine
CID 55165060
2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane
CID 107592764
[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine
CID 63156540

Frequently Asked Questions

What is the IUPAC name of [3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine?
The IUPAC name of [3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine (CID 79687008) is [3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine.
What is the SMILES notation for [3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine?
The canonical SMILES for [3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine is Cc1ccc(CN)cc1N1CC2(CCCCCC2)C1.
What is the InChIKey of [3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine?
The InChIKey is VZGYNFRYTNAGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-6-7-15(11-18)10-16(14)19-12-17(13-19)8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11-13,18H2,1H3.
What are the key properties of [3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine?
[3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine has a molecular weight of 258.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine is sourced from PubChem (CID 79687008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).