N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine

C12H23NO — CID 130584015

IUPACN-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine
SMILESCC1CC2(CCC(CNC(C)C)O2)C1
InChIInChI=1S/C12H23NO/c1-9(2)13-8-11-4-5-12(14-11)6-10(3)7-12/h9-11,13H,4-8H2,1-3H3
InChIKeyPFYMHYOZYRZDLM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds3

About N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine

N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine (PubChem CID 130584015) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine
PubChem CID130584015
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine
SMILESCC1CC2(CCC(CNC(C)C)O2)C1
InChIInChI=1S/C12H23NO/c1-9(2)13-8-11-4-5-12(14-11)6-10(3)7-12/h9-11,13H,4-8H2,1-3H3
InChIKeyPFYMHYOZYRZDLM-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine (CID 130584015) is N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine is CC1CC2(CCC(CNC(C)C)O2)C1.
What is the InChIKey of N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine?
The InChIKey is PFYMHYOZYRZDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)13-8-11-4-5-12(14-11)6-10(3)7-12/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine?
N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine is sourced from PubChem (CID 130584015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).