(1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine

C12H24N2 — CID 104932359

IUPAC(1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
SMILESCCC[C@H](N)C1CC2CCC(C1)N2C
InChIInChI=1S/C12H24N2/c1-3-4-12(13)9-7-10-5-6-11(8-9)14(10)2/h9-12H,3-8,13H2,1-2H3/t9?,10?,11?,12-/m0/s1
InChIKeyJGEFKSYOAOGKHE-ROAFRPBMSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds3

About (1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine

(1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine (PubChem CID 104932359) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine.

Molecular Properties

Compound Name(1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
PubChem CID104932359
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
SMILESCCC[C@H](N)C1CC2CCC(C1)N2C
InChIInChI=1S/C12H24N2/c1-3-4-12(13)9-7-10-5-6-11(8-9)14(10)2/h9-12H,3-8,13H2,1-2H3/t9?,10?,11?,12-/m0/s1
InChIKeyJGEFKSYOAOGKHE-ROAFRPBMSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
The IUPAC name of (1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine (CID 104932359) is (1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine.
What is the SMILES notation for (1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
The canonical SMILES for (1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine is CCC[C@H](N)C1CC2CCC(C1)N2C.
What is the InChIKey of (1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
The InChIKey is JGEFKSYOAOGKHE-ROAFRPBMSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-4-12(13)9-7-10-5-6-11(8-9)14(10)2/h9-12H,3-8,13H2,1-2H3/t9?,10?,11?,12-/m0/s1.
What are the key properties of (1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine?
(1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine is sourced from PubChem (CID 104932359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).