N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine

C13H25N — CID 62707974

IUPACN-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine
SMILESCCCC1CCC2(CC1)CC2CNC
InChIInChI=1S/C13H25N/c1-3-4-11-5-7-13(8-6-11)9-12(13)10-14-2/h11-12,14H,3-10H2,1-2H3
InChIKeyGBQZYGLRGCXSET-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds4

About N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine

N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine (PubChem CID 62707974) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine
PubChem CID62707974
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine
SMILESCCCC1CCC2(CC1)CC2CNC
InChIInChI=1S/C13H25N/c1-3-4-11-5-7-13(8-6-11)9-12(13)10-14-2/h11-12,14H,3-10H2,1-2H3
InChIKeyGBQZYGLRGCXSET-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine?
The IUPAC name of N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine (CID 62707974) is N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine is CCCC1CCC2(CC1)CC2CNC.
What is the InChIKey of N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine?
The InChIKey is GBQZYGLRGCXSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-3-4-11-5-7-13(8-6-11)9-12(13)10-14-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine?
N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine has a molecular weight of 195.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-propylspiro[2.5]octan-2-yl)methanamine is sourced from PubChem (CID 62707974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).