3,9-dimethylspiro[5.5]undecane;methanamine

C14H29N — CID 176558454

IUPAC3,9-dimethylspiro[5.5]undecane;methanamine
SMILESCC1CCC2(CC1)CCC(C)CC2.CN
InChIInChI=1S/C13H24.CH5N/c1-11-3-7-13(8-4-11)9-5-12(2)6-10-13;1-2/h11-12H,3-10H2,1-2H3;2H2,1H3
InChIKeyKFECCKYLCQXVDL-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.97
Rot. Bonds

About 3,9-dimethylspiro[5.5]undecane;methanamine

3,9-dimethylspiro[5.5]undecane;methanamine (PubChem CID 176558454) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3,9-dimethylspiro[5.5]undecane;methanamine.

Molecular Properties

Compound Name3,9-dimethylspiro[5.5]undecane;methanamine
PubChem CID176558454
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3,9-dimethylspiro[5.5]undecane;methanamine
SMILESCC1CCC2(CC1)CCC(C)CC2.CN
InChIInChI=1S/C13H24.CH5N/c1-11-3-7-13(8-4-11)9-5-12(2)6-10-13;1-2/h11-12H,3-10H2,1-2H3;2H2,1H3
InChIKeyKFECCKYLCQXVDL-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,9-dimethylspiro[5.5]undecane
CID 20825106
ethane;6-methylspiro[2.5]octane
CID 142110397
3-methylspiro[5.6]dodecane
CID 143797283
3,11-dimethyldispiro[5.1.58.16]tetradecane
CID 18633626
N,9-dimethylspiro[5.5]undecan-3-amine
CID 164846415
1,1-difluoro-4-methylcyclohexane;methanamine
CID 144779644
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
2,7-dimethylspiro[3.4]octane
CID 142902956
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
1-(9-methylspiro[5.5]undecan-3-yl)azetidine
CID 90712443
8-methyl-2-oxaspiro[4.5]decane
CID 118029245
N,8-dimethylspiro[4.5]decan-3-amine
CID 164846336

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethylspiro[5.5]undecane;methanamine?
The IUPAC name of 3,9-dimethylspiro[5.5]undecane;methanamine (CID 176558454) is 3,9-dimethylspiro[5.5]undecane;methanamine.
What is the SMILES notation for 3,9-dimethylspiro[5.5]undecane;methanamine?
The canonical SMILES for 3,9-dimethylspiro[5.5]undecane;methanamine is CC1CCC2(CC1)CCC(C)CC2.CN.
What is the InChIKey of 3,9-dimethylspiro[5.5]undecane;methanamine?
The InChIKey is KFECCKYLCQXVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.CH5N/c1-11-3-7-13(8-4-11)9-5-12(2)6-10-13;1-2/h11-12H,3-10H2,1-2H3;2H2,1H3.
What are the key properties of 3,9-dimethylspiro[5.5]undecane;methanamine?
3,9-dimethylspiro[5.5]undecane;methanamine has a molecular weight of 211.39 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethylspiro[5.5]undecane;methanamine is sourced from PubChem (CID 176558454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).