(4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane

C13H25N — CID 171594457

IUPAC(4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane
SMILESCN1CCC[C@]2(CCC2C(C)(C)C)C1
InChIInChI=1S/C13H25N/c1-12(2,3)11-6-8-13(11)7-5-9-14(4)10-13/h11H,5-10H2,1-4H3/t11?,13-/m0/s1
InChIKeyHHDBAIXTMPEWSV-YUZLPWPTSA-N
MW195.35 g/mol
LogP3.15
Rot. Bonds

About (4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane

(4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane (PubChem CID 171594457) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane
PubChem CID171594457
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane
SMILESCN1CCC[C@]2(CCC2C(C)(C)C)C1
InChIInChI=1S/C13H25N/c1-12(2,3)11-6-8-13(11)7-5-9-14(4)10-13/h11H,5-10H2,1-4H3/t11?,13-/m0/s1
InChIKeyHHDBAIXTMPEWSV-YUZLPWPTSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6R,11R)-2-methyl-2-azaspiro[5.5]undecan-11-ol
CID 10986949
4-tert-butylspiro[4.4]nonane
CID 140778111
(4R)-3-tert-butyl-6-azaspiro[3.5]nonane
CID 171594443
3-tert-butyl-5-methyl-5-azaspiro[3.4]octane
CID 171594521
N,N-dimethyl-1-(2-methyl-2-azaspiro[4.4]nonan-9-yl)methanamine
CID 177005682
2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane
CID 177232347
7-tert-butyl-2-azaspiro[3.3]heptane
CID 171431710
N-cyclopropyl-6-methyl-6-azaspiro[3.5]nonan-9-amine
CID 83907757
3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane
CID 177006329
3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane
CID 177005452
(3-cyclopropyl-1-methylpiperidin-3-yl)methanamine
CID 83816076
3-(fluoromethyl)-1-methylpiperidin-3-amine
CID 84762965

Frequently Asked Questions

What is the IUPAC name of (4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane?
The IUPAC name of (4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane (CID 171594457) is (4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane.
What is the SMILES notation for (4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane?
The canonical SMILES for (4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane is CN1CCC[C@]2(CCC2C(C)(C)C)C1.
What is the InChIKey of (4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane?
The InChIKey is HHDBAIXTMPEWSV-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H25N/c1-12(2,3)11-6-8-13(11)7-5-9-14(4)10-13/h11H,5-10H2,1-4H3/t11?,13-/m0/s1.
What are the key properties of (4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane?
(4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane has a molecular weight of 195.35 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane is sourced from PubChem (CID 171594457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).