(2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine

C13H25N — CID 130488637

IUPAC(2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine
SMILESCC1CCC2(CC1C)C(CN)C2(C)C
InChIInChI=1S/C13H25N/c1-9-5-6-13(7-10(9)2)11(8-14)12(13,3)4/h9-11H,5-8,14H2,1-4H3
InChIKeyVKJJUWYRXQWCJC-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.04
Rot. Bonds1

About (2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine

(2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine (PubChem CID 130488637) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine.

Molecular Properties

Compound Name(2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine
PubChem CID130488637
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine
SMILESCC1CCC2(CC1C)C(CN)C2(C)C
InChIInChI=1S/C13H25N/c1-9-5-6-13(7-10(9)2)11(8-14)12(13,3)4/h9-11H,5-8,14H2,1-4H3
InChIKeyVKJJUWYRXQWCJC-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylspiro[2.5]octan-1-yl)methanamine
CID 83679419
(7-methoxy-2,2-dimethylspiro[2.5]octan-1-yl)methanamine
CID 130488649
(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine
CID 124508954
[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol
CID 129322383
(6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol
CID 130488861
1-amino-3,4-dimethylcyclohexane-1-carbonitrile
CID 64745262
[1-(2,2-dimethylhydrazinyl)-3,4-dimethylcyclohexyl]methanamine
CID 83011506
1-(aminomethyl)-N-cyclopropyl-3,4-dimethylcyclohexan-1-amine
CID 64746635
(2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine
CID 130756561
3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine
CID 64733574
ethane;1,3,4-trimethyl-1-propan-2-ylcyclohexane
CID 177218946
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine
CID 64745254

Frequently Asked Questions

What is the IUPAC name of (2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine?
The IUPAC name of (2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine (CID 130488637) is (2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine.
What is the SMILES notation for (2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine?
The canonical SMILES for (2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine is CC1CCC2(CC1C)C(CN)C2(C)C.
What is the InChIKey of (2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine?
The InChIKey is VKJJUWYRXQWCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-9-5-6-13(7-10(9)2)11(8-14)12(13,3)4/h9-11H,5-8,14H2,1-4H3.
What are the key properties of (2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine?
(2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine has a molecular weight of 195.35 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine is sourced from PubChem (CID 130488637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).