3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline

C16H25N3 — CID 142373207

IUPAC3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline
SMILESCc1cc(N)ccc1N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C16H25N3/c1-13-11-14(17)3-4-15(13)19-10-7-16(12-19)5-8-18(2)9-6-16/h3-4,11H,5-10,12,17H2,1-2H3
InChIKeyYRFNUVWIPQQJIC-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.50
Rot. Bonds1

About 3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline

3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline (PubChem CID 142373207) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline.

Molecular Properties

Compound Name3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline
PubChem CID142373207
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline
SMILESCc1cc(N)ccc1N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C16H25N3/c1-13-11-14(17)3-4-15(13)19-10-7-16(12-19)5-8-18(2)9-6-16/h3-4,11H,5-10,12,17H2,1-2H3
InChIKeyYRFNUVWIPQQJIC-UHFFFAOYSA-N
XLogP2.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline
CID 63160515
ethane;3-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 170593153
3-fluoro-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)aniline
CID 142373155
4-(5-azaspiro[2.3]hexan-5-yl)-3-chloroaniline
CID 79688620
3-methyl-4-morpholin-4-ylaniline
CID 10607787
4-(4-cyclopropylpiperazin-1-yl)-3-methylaniline
CID 61440602
4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline
CID 66617388
4-(5-azaspiro[2.3]hexan-5-yl)-3-methylbenzoic acid
CID 79687571
tert-butyl 7-(4-amino-2-methylphenyl)-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 142621501
1-[4-(4-amino-2-methylphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 82533841
3-amino-1-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117011884
3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline
CID 164873208

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline?
The IUPAC name of 3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline (CID 142373207) is 3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline.
What is the SMILES notation for 3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline?
The canonical SMILES for 3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline is Cc1cc(N)ccc1N1CCC2(CCN(C)CC2)C1.
What is the InChIKey of 3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline?
The InChIKey is YRFNUVWIPQQJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13-11-14(17)3-4-15(13)19-10-7-16(12-19)5-8-18(2)9-6-16/h3-4,11H,5-10,12,17H2,1-2H3.
What are the key properties of 3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline?
3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline has a molecular weight of 259.40 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)aniline is sourced from PubChem (CID 142373207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).