5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine

C15H30N2 — CID 112680959

IUPAC5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine
SMILESCC(C)CCCC(N)C1CC2CCC(C1)N2C
InChIInChI=1S/C15H30N2/c1-11(2)5-4-6-15(16)12-9-13-7-8-14(10-12)17(13)3/h11-15H,4-10,16H2,1-3H3
InChIKeyLWBWRQOYXWUHLO-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.01
Rot. Bonds5

About 5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine

5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine (PubChem CID 112680959) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine
PubChem CID112680959
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine
SMILESCC(C)CCCC(N)C1CC2CCC(C1)N2C
InChIInChI=1S/C15H30N2/c1-11(2)5-4-6-15(16)12-9-13-7-8-14(10-12)17(13)3/h11-15H,4-10,16H2,1-3H3
InChIKeyLWBWRQOYXWUHLO-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine?
The IUPAC name of 5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine (CID 112680959) is 5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine.
What is the SMILES notation for 5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine?
The canonical SMILES for 5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine is CC(C)CCCC(N)C1CC2CCC(C1)N2C.
What is the InChIKey of 5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine?
The InChIKey is LWBWRQOYXWUHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-11(2)5-4-6-15(16)12-9-13-7-8-14(10-12)17(13)3/h11-15H,4-10,16H2,1-3H3.
What are the key properties of 5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine?
5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine is sourced from PubChem (CID 112680959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).