2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine

C15H29NO — CID 114229845

IUPAC2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1C(C)(C)C12CCOC(C)C2
InChIInChI=1S/C15H29NO/c1-11(2)9-16-10-13-14(4,5)15(13)6-7-17-12(3)8-15/h11-13,16H,6-10H2,1-5H3
InChIKeyNUNGLEOIKSZORC-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.07
Rot. Bonds4

About 2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine

2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine (PubChem CID 114229845) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine
PubChem CID114229845
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1C(C)(C)C12CCOC(C)C2
InChIInChI=1S/C15H29NO/c1-11(2)9-16-10-13-14(4,5)15(13)6-7-17-12(3)8-15/h11-13,16H,6-10H2,1-5H3
InChIKeyNUNGLEOIKSZORC-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine (CID 114229845) is 2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine is CC(C)CNCC1C(C)(C)C12CCOC(C)C2.
What is the InChIKey of 2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine?
The InChIKey is NUNGLEOIKSZORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11(2)9-16-10-13-14(4,5)15(13)6-7-17-12(3)8-15/h11-13,16H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine?
2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 114229845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).